data_2kdt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kdt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -92.71 -18.68 22.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.219 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -56.31 -22.95 33.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 111.258 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.1 -32.72 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -65.13 -26.28 68.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.16 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.597 0.713 . . . . 0.0 110.26 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.53 -38.78 9.83 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.364 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.6 -26.72 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.0 -22.23 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.23 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 62.4 tp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.37 -49.39 67.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.24 -22.86 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.225 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -73.89 -31.72 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.207 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 746' ' ' MET . 1.1 pp -74.3 -35.01 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 746' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 747' ' ' ASP . 1.5 ppp? -64.73 -33.06 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 746' ' ' MET . 15.6 m-20 -69.79 -29.48 66.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.508 -179.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.855 0.359 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 7.9 m-85 -82.5 -22.49 35.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.9 t -66.05 -22.56 66.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.28 -32.58 72.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.31 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 24.0 m-85 -77.74 -33.29 52.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -56.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . 0.423 ' O ' ' CE2' ' A' ' 729' ' ' TYR . 7.7 t70 -44.92 -36.34 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.539 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 34.4 t -83.18 -26.32 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.49 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 1.4 m-85 -60.9 -24.61 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 726' ' ' ASP . 2.6 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.206 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.868 0.366 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.24 -50.2 29.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.86 -24.76 24.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.41 82.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.4 -34.16 77.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -24.88 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.015 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.11 -29.73 61.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.522 -179.653 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.687 0.28 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.29 -21.45 10.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -22.41 60.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.152 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.98 -32.66 74.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -59.12 -31.64 69.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.34 -57.04 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 110.118 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -47.55 -48.05 27.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.02 -26.68 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.12 -22.14 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.776 0.322 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -50.27 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.89 -32.81 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.79 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.035 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -36.87 84.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.52 -25.47 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.9 mm . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.736 -179.472 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.889 0.376 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.98 -20.02 31.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 93.1 p -60.83 -31.3 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.29 -32.73 70.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD2' ' A' ' 728' ' ' PHE . 45.8 m-85 -68.83 -28.07 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 CA-C-O 121.631 0.729 . . . . 0.0 110.356 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -45.24 -41.75 8.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.454 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.18 -30.07 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.409 . . . . 0.0 111.212 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 724' ' ' TYR . 11.8 m-85 -80.08 -22.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.97 -49.97 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -53.68 -25.43 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.05 83.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.44 -34.0 76.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.764 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mtt -67.64 -24.31 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.987 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.13 -29.67 61.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.673 -179.634 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.988 0.423 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -83.48 -18.36 38.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.5 m -57.19 -22.66 42.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.241 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -69.3 -32.73 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.03 -26.83 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.21 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.692 0.758 . . . . 0.0 110.236 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.43 -41.32 13.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.325 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 32.8 t -63.59 -27.0 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.25 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -80.12 -22.12 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.21 -43.47 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.96 -27.07 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.13 89.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.89 -32.76 74.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 15.4 mmm -67.87 -25.42 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.46 -29.51 62.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 32.6 mm . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.372 -179.751 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -111.19 -23.38 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.324 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -27.34 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.07 -32.78 71.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 47.7 m-85 -72.05 -31.95 66.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -57.08 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-O 121.625 0.726 . . . . 0.0 110.212 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -55.11 10.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.85 -30.08 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 111.186 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.3 m-85 -80.23 -23.18 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.275 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.912 0.387 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -50.22 74.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 746' ' ' MET . 6.1 mt-30 -57.58 -22.85 47.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.33 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.158 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.86 46.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.403 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 746' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 18.5 ptm -62.61 -34.85 77.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 110.799 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -29.58 69.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.658 -179.579 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.18 -19.36 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 24.3 t -60.26 -24.07 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.17 -32.67 70.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -65.51 -26.22 67.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -57.11 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 121.7 0.762 . . . . 0.0 110.339 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.04 -40.49 14.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.388 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.4 -26.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.242 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.08 -22.25 42.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.194 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.27 -32.49 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -70.8 -30.52 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.624 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.66 67.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -31.19 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.56 -26.49 65.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -74.09 -29.63 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.541 -179.676 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.795 0.331 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -111.96 -23.85 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -22.52 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -62.85 -32.65 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 89.0 m-85 -63.9 -30.6 71.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.698 0.761 . . . . 0.0 110.238 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.86 -57.13 10.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 25.7 t -58.36 -26.39 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -79.99 -22.2 42.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.02 -50.15 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -54.1 -25.17 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.33 83.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.29 -34.2 77.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 55.7 mtt -67.99 -25.06 65.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -29.65 61.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 -179.657 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.924 0.392 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -83.72 -22.94 31.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.2 t -65.55 -22.6 66.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -66.76 -32.64 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 111.191 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -78.49 -35.19 46.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.066 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.27 -56.47 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-O 121.728 0.775 . . . . 0.0 110.157 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -47.86 -58.04 4.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.408 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.11 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 111.259 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.06 -24.13 40.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.072 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.261 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.69 0.281 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 742' ' ' LEU . 3.2 mm? -76.59 -50.2 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.41 -26.09 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.24 -39.91 82.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 746' ' ' MET . 1.0 OUTLIER -64.73 -32.9 74.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 746' ' ' MET . . . . . 0.4 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 19.2 mtp -68.08 -24.66 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.19 -29.68 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.481 -179.61 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -120.56 -15.62 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.595 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -22.42 65.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -68.51 -32.67 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -54.83 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.49 -43.59 5.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.738 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.25 -28.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.277 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.17 -22.21 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.053 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.862 0.363 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -50.18 53.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -56.95 -24.38 52.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.87 79.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -36.97 85.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 16.9 mtm -65.79 -24.28 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.18 -29.54 61.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.639 -179.61 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 65.8 m-85 -110.63 -19.72 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -22.31 64.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.357 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.7 -32.69 74.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.315 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 59.4 m-85 -67.35 -26.81 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.3 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 121.721 0.772 . . . . 0.0 110.318 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.17 -41.77 13.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.55 -27.06 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.269 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -80.12 -22.06 42.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.32 -22.81 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.7 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.43 -36.2 68.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.21 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 746' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 747' ' ' ASP . 1.3 ptm -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . 0.494 ' N ' ' HG3' ' A' ' 746' ' ' MET . 18.1 t0 -66.85 -29.45 69.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.221 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.548 -179.611 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.658 0.266 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.26 -21.07 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -22.49 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.59 -32.62 73.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -65.91 -26.56 67.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.24 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.23 -56.99 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.772 0.796 . . . . 0.0 110.336 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -48.54 -24.11 1.2 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.851 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 22.8 t -55.01 -57.78 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.743 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.497 ' CE1' ' CD1' ' A' ' 729' ' ' TYR . 10.3 p90 -71.02 -22.15 62.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.439 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . 0.497 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.7 m-85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.773 0.32 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -50.16 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -56.78 -25.51 55.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.02 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -35.96 80.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.9 mmm -65.69 -25.02 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.21 -29.54 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 33.5 mm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.724 -179.46 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.33 -23.13 11.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -22.53 66.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -70.19 -32.71 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.86 -25.72 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.139 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . 0.428 HG13 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.25 -57.07 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.734 0.778 . . . . 0.0 110.344 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -49.11 -23.82 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.889 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.05 -57.79 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.502 ' CE1' ' CD1' ' A' ' 729' ' ' TYR . 13.8 p90 -70.3 -22.22 62.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.365 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 3.2 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -50.24 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -26.22 53.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.98 76.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.94 -36.54 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.44 -24.78 67.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.21 -29.51 61.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.565 -179.609 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.757 0.313 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.9 -1.3 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.625 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.4 t -63.81 -22.55 66.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.86 -32.69 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 67.8 m-85 -64.43 -28.53 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -57.27 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.675 0.75 . . . . 0.0 110.308 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -52.6 -54.57 31.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.6 t -60.12 -26.86 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.8 m-85 -80.05 -22.23 42.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.383 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.819 0.342 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.84 -50.22 21.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -55.31 -24.7 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.62 81.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.02 -33.96 76.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.51 -25.11 65.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -73.4 -29.47 62.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.9 mm . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.554 -179.788 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.359 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -109.61 -24.3 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -23.09 64.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.16 -32.72 70.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.047 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -65.97 -25.74 67.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 728' ' ' PHE . 0.5 OUTLIER -79.26 -57.0 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.686 0.755 . . . . 0.0 110.446 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.94 -24.02 1.34 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.806 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.07 -57.68 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.057 0.456 . . . . 0.0 111.68 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 725' ' ' VAL . 14.5 p90 -69.63 -22.77 63.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.308 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.153 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -50.19 42.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -56.49 -25.65 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.92 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.053 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -36.24 81.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.9 mtp -65.74 -24.63 67.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -29.51 61.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.699 -179.561 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.878 0.371 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -113.47 -27.36 7.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -22.84 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.218 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.61 -32.73 74.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 49.3 m-85 -67.36 -33.27 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -56.95 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.675 0.75 . . . . 0.0 110.147 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -57.66 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.267 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.1 t -59.45 -27.57 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.205 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.0 m-85 -80.14 -24.04 40.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -50.18 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -57.75 -22.89 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.64 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.243 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -39.13 45.77 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.483 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 20.4 ptp -62.03 -35.41 78.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.256 0.551 . . . . 0.0 110.693 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -29.51 70.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.8 mm . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.731 -179.574 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.726 0.298 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . 0.433 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 62.2 m-85 -110.6 -21.5 12.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -22.52 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.297 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.25 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.367 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 47.9 m-85 -68.67 -31.18 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.155 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -57.06 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-O 121.667 0.746 . . . . 0.0 110.266 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.4 -56.32 10.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.504 -1.226 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.97 -27.05 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.293 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.9 m-85 -80.11 -22.3 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -50.19 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 746' ' ' MET . 22.2 tm0? -57.38 -22.89 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.37 62.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -39.03 45.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.37 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 746' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 743' ' ' GLN . 21.3 ptp -62.99 -35.06 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.165 0.507 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.75 -29.45 69.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.1 mm . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.592 -179.664 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.686 0.279 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -108.01 -21.91 12.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -25.72 67.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.16 -32.64 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.984 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -66.88 -29.0 68.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.038 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.37 -57.34 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.681 0.753 . . . . 0.0 110.358 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -55.79 18.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.252 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.6 -26.43 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.238 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -80.14 -22.08 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -50.22 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -26.43 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.62 78.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.51 -36.18 80.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.9 mmm -65.51 -24.95 67.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.06 -29.48 61.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.524 -179.692 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -109.38 -23.22 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -24.45 65.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.27 -32.67 70.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -66.22 -25.5 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . 0.423 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.32 -56.97 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.633 0.73 . . . . 0.0 110.381 179.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -49.1 -24.08 1.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.893 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.09 -57.68 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.728 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.487 ' CE1' ' CD1' ' A' ' 729' ' ' TYR . 10.5 p90 -70.76 -22.11 62.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.39 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . 0.487 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.8 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -46.3 41.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.777 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -31.55 66.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.65 -51.12 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.0 -24.24 57.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.08 -29.67 61.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.751 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -74.97 -24.39 58.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.5 m -74.65 -23.69 58.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.96 -32.8 74.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 92.2 m-85 -68.12 -33.59 74.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -56.98 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 110.223 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -50.06 -59.06 4.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.336 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.25 -26.51 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.224 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -80.09 -22.6 42.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.019 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.09 -49.13 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.8 -25.19 18.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.45 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.05 -34.09 76.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 41.1 mmm -68.01 -25.29 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.15 -29.55 61.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.635 -179.62 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.87 0.367 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 59.87 30.44 19.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.53 52.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.55 95.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.47 2.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.534 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.89 52.41 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -110.8 36.98 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.69 103.86 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.767 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 60.2 p 45.55 82.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.494 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -22.86 37.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -92.71 -18.68 22.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.219 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -56.31 -22.95 33.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 111.258 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.1 -32.72 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -65.13 -26.28 68.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.16 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.597 0.713 . . . . 0.0 110.26 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.53 -38.78 9.83 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.364 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.6 -26.72 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.0 -22.23 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.78 -16.97 57.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.4 m120 62.62 40.62 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 43.8 p -126.39 134.38 51.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.458 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.8 ttmt -179.67 -56.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.2 Cg_endo -91.29 86.84 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.866 2.378 . . . . 0.0 112.688 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -101.26 -31.45 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.26 -49.84 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -157.68 -73.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 68.74 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -118.38 102.87 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -61.39 85.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.57 -44.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.5 -45.07 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.37 -49.39 67.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.24 -22.86 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.225 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -73.89 -31.72 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.207 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 746' ' ' MET . 1.1 pp -74.3 -35.01 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 747' ' ' ASP . 1.5 ppp? -64.73 -33.06 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 746' ' ' MET . 15.6 m-20 -69.79 -29.48 66.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.2 mm -56.87 -32.77 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.508 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.5 pp -94.43 -7.64 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.552 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -35.5 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -112.28 37.69 2.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -156.49 81.69 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.875 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? 68.33 -69.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.62 63.84 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.31 92.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 154.3 43.9 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.39 50.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 36.5 2.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.88 104.22 13.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.729 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.4 m -162.44 89.6 0.69 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.019 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 7.9 m-85 -82.5 -22.49 35.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.9 t -66.05 -22.56 66.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.28 -32.58 72.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.31 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 24.0 m-85 -77.74 -33.29 52.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -56.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . 0.423 ' O ' ' CE2' ' A' ' 729' ' ' TYR . 7.7 t70 -44.92 -36.34 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.539 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 34.4 t -83.18 -26.32 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.49 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 1.4 m-85 -60.9 -24.61 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 726' ' ' ASP . 2.6 p90 -99.48 -21.35 15.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.206 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.55 36.74 1.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.84 57.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.461 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.0 OUTLIER -179.82 -56.52 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.1 Cg_endo -91.21 98.62 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.879 2.386 . . . . 0.0 112.678 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -136.25 117.66 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -142.16 130.97 22.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.9 5.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 60.74 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -116.41 44.4 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.65 88.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -68.3 -34.74 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.44 -50.98 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.24 -50.2 29.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.86 -24.76 24.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.41 82.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.4 -34.16 77.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -24.88 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.015 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.11 -29.73 61.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 20.1 mt -72.43 -37.78 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.522 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.6 pp -94.72 -7.17 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.616 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -30.5 69.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.765 0.317 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -159.05 58.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.32 53.05 2.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.853 0.359 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.02 76.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.33 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 61.22 84.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -113.61 -30.01 2.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.57 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -118.71 38.58 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -108.11 104.28 13.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 0.0 110.7 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.2 m -161.95 89.41 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.6 -18.8 28.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.191 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.29 -21.45 10.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -22.41 60.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.152 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.98 -32.66 74.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -59.12 -31.64 69.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.34 -57.04 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 110.118 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -47.55 -48.05 27.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.02 -26.68 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.12 -22.14 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.35 -18.89 58.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 62.19 45.15 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 60.9 m -124.32 132.08 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER 179.62 -56.12 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.6 Cg_endo -91.62 164.36 3.46 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.925 2.417 . . . . 0.0 112.701 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 60.6 34.36 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -70.0 137.58 51.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -98.61 -177.2 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -91.87 -172.59 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.1 143.36 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -176.48 -53.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.51 -27.81 69.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.263 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -50.27 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.89 -32.81 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.79 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.035 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -36.87 84.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.52 -25.47 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.25 -32.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.736 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.6 -19.79 22.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.415 ' N ' HD11 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -66.18 -34.58 78.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 61.32 39.81 15.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.58 53.17 2.72 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.963 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.788 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -86.57 -35.64 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.7 39.89 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.08 81.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 158.89 -69.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 28.9 t 59.7 88.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -142.11 39.09 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -104.62 103.79 13.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 110.736 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.59 83.03 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.304 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -23.99 61.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.98 -20.02 31.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 93.1 p -60.83 -31.3 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.29 -32.73 70.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD2' ' A' ' 728' ' ' PHE . 45.8 m-85 -68.83 -28.07 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 CA-C-O 121.631 0.729 . . . . 0.0 110.356 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -45.24 -41.75 8.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.454 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.18 -30.07 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.409 . . . . 0.0 111.212 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 724' ' ' TYR . 11.8 m-85 -80.08 -22.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.16 -24.0 15.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 57.25 33.71 23.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 17.2 p -59.1 122.47 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.427 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -87.51 -54.4 0.37 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.2 Cg_endo -91.76 -167.26 0.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.006 2.47 . . . . 0.0 112.683 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -148.19 -51.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.83 144.33 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -86.08 100.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -129.27 30.52 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 59.43 169.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -176.58 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 68.22 -68.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.0 tp -63.86 -47.47 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.97 -49.97 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -53.68 -25.43 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.05 83.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.44 -34.0 76.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.764 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mtt -67.64 -24.31 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.987 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.13 -29.67 61.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 21.0 mt -76.36 -34.81 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.673 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.6 pp -94.76 -6.98 41.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.606 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -45.55 94.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.799 0.333 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -156.92 39.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 45.44 82.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.357 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.85 0.357 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -79.39 95.08 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.35 39.8 18.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.05 95.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.31 32.95 5.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 3.4 p 50.07 62.69 2.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 111.196 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.79 36.47 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.71 104.33 12.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.686 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.3 m -162.83 89.4 0.65 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.75 -26.13 26.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -83.48 -18.36 38.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.5 m -57.19 -22.66 42.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.241 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -69.3 -32.73 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.03 -26.83 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.21 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.692 0.758 . . . . 0.0 110.236 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.43 -41.32 13.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.325 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 32.8 t -63.59 -27.0 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.25 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -80.12 -22.12 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -77.76 -21.4 51.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.55 80.85 7.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.8 p -132.04 40.53 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.517 ' HB2' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -78.94 -50.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 732' ' ' LYS . 23.7 Cg_endo -93.81 -175.25 0.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.994 2.463 . . . . 0.0 112.696 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -134.89 -48.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 111.27 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.2 31.23 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -110.83 99.87 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -89.93 -31.72 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -176.51 37.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -98.78 -47.75 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.6 tp -82.61 -36.72 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.21 -43.47 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.96 -27.07 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.13 89.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.89 -32.76 74.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 15.4 mmm -67.87 -25.42 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.46 -29.51 62.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.07 -32.3 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.372 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.45 -8.65 37.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.567 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.406 ' N ' HD13 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -61.95 -31.27 71.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -119.39 41.1 3.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.14 52.94 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 14.2 p30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.85 0.357 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -36.1 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.95 39.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 60.84 92.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 176.83 -65.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.584 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.09 77.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -149.46 38.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.52 103.91 13.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.24 0.543 . . . . 0.0 110.738 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.56 78.29 0.35 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.46 -21.27 58.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -111.19 -23.38 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.324 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -27.34 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.07 -32.78 71.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 47.7 m-85 -72.05 -31.95 66.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -57.08 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-O 121.625 0.726 . . . . 0.0 110.212 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -55.11 10.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 29.0 t -62.85 -30.08 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 111.186 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.3 m-85 -80.23 -23.18 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -99.32 -21.28 16.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.275 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.38 -65.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 731' ' ' THR . . . . . 0.416 ' HA ' ' CD2' ' A' ' 734' ' ' TYR . 0.2 OUTLIER 62.71 29.24 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.453 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.7 ttmt -93.35 -55.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.3 Cg_endo -92.53 58.33 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.927 2.418 . . . . 0.0 112.686 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 731' ' ' THR . 0.3 OUTLIER -101.93 162.87 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.8 tttt 60.69 35.96 19.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -74.71 -65.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -67.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 62.63 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.26 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -35.04 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.68 -31.95 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -50.22 74.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 746' ' ' MET . 6.1 mt-30 -57.58 -22.85 47.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.33 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.158 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.86 46.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.403 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' MET . . . . . 0.407 ' O ' HD12 ' A' ' 749' ' ' LEU . 18.5 ptm -62.61 -34.85 77.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 110.799 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -29.58 69.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 13.7 mt -76.42 -36.41 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 746' ' ' MET . 2.7 pp -94.83 -6.67 42.29 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.598 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -52.82 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 58.78 39.51 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.6 82.29 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.346 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.943 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.872 0.368 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.84 34.9 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.7 41.02 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 61.32 40.14 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -110.82 -35.05 2.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.416 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.5 m -149.46 82.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -110.33 36.64 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.17 104.04 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.761 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' A' ' 722' ' ' SER . 0.1 OUTLIER 46.24 83.55 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.294 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.28 -21.04 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.18 -19.36 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 719' ' ' SER . 24.3 t -60.26 -24.07 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.17 -32.67 70.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -65.51 -26.22 67.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -57.11 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 121.7 0.762 . . . . 0.0 110.339 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.04 -40.49 14.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.388 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.4 -26.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.242 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.08 -22.25 42.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -92.72 -21.29 20.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.97 -40.11 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.5 119.89 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.439 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.5 OUTLIER -85.16 -54.97 0.43 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.4 Cg_endo -91.56 128.79 1.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.975 2.45 . . . . 0.0 112.653 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -149.47 32.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.94 -57.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 60.81 157.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -94.69 -177.63 4.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -60.46 117.73 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.16 78.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -70.43 -31.75 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.19 -34.14 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.27 -32.49 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -70.8 -30.52 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.624 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.66 67.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -31.19 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.56 -26.49 65.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -74.09 -29.63 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 25.0 mt -65.92 -38.96 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.541 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.71 -8.78 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.646 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.407 ' N ' HD11 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -65.93 -15.15 62.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.621 0.248 . . . . 0.0 111.322 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.87 62.09 0.47 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.62 52.73 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.906 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -101.0 93.99 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.81 52.68 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 60.85 80.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -125.93 58.95 0.67 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.2 m -97.49 39.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 45.69 35.49 2.2 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -109.9 104.22 13.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.721 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -164.28 90.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.27 -23.21 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -111.96 -23.85 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -22.52 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -62.85 -32.65 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 89.0 m-85 -63.9 -30.6 71.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.698 0.761 . . . . 0.0 110.238 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.86 -57.13 10.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 25.7 t -58.36 -26.39 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -79.99 -22.2 42.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -86.49 -21.05 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 60.55 35.91 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 26.7 m -78.38 80.29 4.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.434 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -87.57 -54.86 0.35 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.434 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.0 Cg_endo -91.78 -172.2 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.003 2.468 . . . . 0.0 112.698 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -85.03 -74.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -176.05 117.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -70.23 155.69 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -158.93 83.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -175.65 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.53 72.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -152.09 -59.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.22 -49.84 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.02 -50.15 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -54.1 -25.17 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.33 83.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.29 -34.2 77.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 55.7 mtt -67.99 -25.06 65.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -29.65 61.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.95 -38.45 75.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.6 pp -94.78 -7.37 40.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.58 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -30.93 70.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.51 38.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -157.58 80.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.878 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.855 0.359 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.64 36.51 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.47 41.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.51 40.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -78.67 -55.42 3.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.89 80.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -140.14 38.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.97 103.97 13.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.721 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.7 m -162.21 89.51 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.75 -27.68 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -83.72 -22.94 31.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.2 t -65.55 -22.6 66.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -66.76 -32.64 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 111.191 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -78.49 -35.19 46.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.066 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.27 -56.47 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-O 121.728 0.775 . . . . 0.0 110.157 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -47.86 -58.04 4.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.408 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.11 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 111.259 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.06 -24.13 40.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.072 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -99.32 -20.57 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.261 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.55 -69.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 6.5 p 57.0 105.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.434 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.0 OUTLIER -66.94 -54.97 17.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.434 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 27.7 Cg_endo -91.68 -167.35 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.01 2.473 . . . . 0.0 112.681 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.25 -169.83 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -59.88 -39.68 86.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -128.53 150.19 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -67.2 75.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.76 101.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -177.03 89.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -65.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 tp -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.087 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 742' ' ' LEU . 3.2 mm? -76.59 -50.2 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.41 -26.09 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.24 -39.91 82.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 746' ' ' MET . 1.0 OUTLIER -64.73 -32.9 74.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' MET . . . . . 0.4 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 19.2 mtp -68.08 -24.66 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.19 -29.68 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 31.2 mm -69.58 -38.03 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.481 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.6 pp -94.78 -7.24 41.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.593 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -27.83 69.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.773 0.32 . . . . 0.0 111.091 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -108.78 36.27 2.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.996 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.07 53.41 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.876 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.769 0.318 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -161.09 87.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.22 47.13 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -175.54 79.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -121.32 29.37 5.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.581 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.6 m 59.3 78.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -143.24 38.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.8 103.89 10.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.289 0.566 . . . . 0.0 110.716 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.1 m -87.94 53.45 2.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.056 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.07 -21.51 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -120.56 -15.62 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.595 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -22.42 65.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -68.51 -32.67 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -54.83 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.49 -43.59 5.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.738 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.25 -28.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.277 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.17 -22.21 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.053 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -74.71 -18.18 60.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 64.33 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 23.6 m -112.87 -32.52 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.453 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.1 OUTLIER 174.1 -55.9 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.989 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 29.3 Cg_endo -91.5 -166.78 0.19 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.93 2.42 . . . . 0.0 112.667 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.06 100.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.25 112.48 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . 0.419 ' CG ' HD21 ' A' ' 741' ' ' LEU . 0.3 OUTLIER 61.12 -176.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.78 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.26 33.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -118.81 27.2 9.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.56 37.64 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.468 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -124.54 -54.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.419 HD21 ' CG ' ' A' ' 736' ' ' HIS . 18.4 tp -59.73 -50.83 72.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -50.18 53.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -56.95 -24.38 52.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.87 79.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -36.97 85.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 16.9 mtm -65.79 -24.28 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.18 -29.54 61.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.66 -38.25 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.639 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.71 -9.52 34.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.642 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.414 ' N ' HD11 ' A' ' 749' ' ' LEU . 0.4 OUTLIER -71.42 -32.46 68.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.813 0.339 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 62.01 39.13 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 43.74 39.11 2.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.601 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.916 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 17.7 tttt 60.87 28.72 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 58.75 94.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -177.59 95.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -155.32 -77.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 97.5 p -141.68 57.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -110.33 36.73 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -109.07 104.16 13.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.669 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.02 89.99 0.58 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.76 -21.28 28.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 65.8 m-85 -110.63 -19.72 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -22.31 64.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.357 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.7 -32.69 74.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.315 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 59.4 m-85 -67.35 -26.81 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.3 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 121.721 0.772 . . . . 0.0 110.318 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.17 -41.77 13.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.55 -27.06 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.269 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -80.12 -22.06 42.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -97.61 -21.19 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.7 96.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 43.6 m -160.56 133.97 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.444 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.8 ttmt -82.07 -55.0 0.61 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.444 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.2 Cg_endo -91.67 138.71 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.99 2.46 . . . . 0.0 112.646 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.93 143.82 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.97 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -142.75 -66.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 158.88 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -147.93 124.96 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.07 80.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.97 -43.94 2.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.23 -50.93 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.32 -22.81 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.7 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.43 -36.2 68.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.21 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 747' ' ' ASP . 1.3 ptm -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . 0.494 ' N ' ' HG3' ' A' ' 746' ' ' MET . 18.1 t0 -66.85 -29.45 69.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.221 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 58.9 mt -58.97 -33.03 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.548 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.6 pp -94.71 -7.8 39.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.578 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.793 0.33 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.38 37.47 2.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.11 52.82 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.797 0.332 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.04 67.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.67 66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -177.15 85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 168.55 79.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.545 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.8 t -116.55 66.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.15 37.95 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -117.65 104.03 10.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.517 . . . . 0.0 110.756 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.2 m -162.21 89.36 0.7 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.21 -17.85 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.247 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.26 -21.07 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -22.49 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.59 -32.62 73.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -65.91 -26.56 67.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.24 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.23 -56.99 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.772 0.796 . . . . 0.0 110.336 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -48.54 -24.11 1.2 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.851 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 22.8 t -55.01 -57.78 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.743 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.497 ' CE1' ' CD1' ' A' ' 729' ' ' TYR . 10.3 p90 -71.02 -22.15 62.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.439 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . 0.497 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.7 m-85 -59.27 -21.6 59.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.08 81.45 2.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 12.3 m -101.11 134.35 44.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER 179.66 -56.22 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.049 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.5 Cg_endo -91.44 138.45 2.19 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.881 2.387 . . . . 0.0 112.709 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -118.09 156.22 29.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -60.04 87.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 31.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.21 84.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.59 -32.53 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -70.28 -34.36 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.98 -40.3 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -50.16 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -56.78 -25.51 55.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.02 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -35.96 80.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.9 mmm -65.69 -25.02 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.21 -29.54 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.56 -32.67 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.724 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.61 -17.98 24.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.411 ' N ' HD11 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -65.38 -57.82 7.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.58 38.59 25.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 45.2 39.61 4.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.438 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.873 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -122.64 39.28 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.98 86.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 60.95 87.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.72 31.74 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.58 77.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.12 38.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.4 104.07 13.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.277 0.56 . . . . 0.0 110.671 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.16 89.97 0.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.01 -21.8 31.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.33 -23.13 11.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -22.53 66.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -70.19 -32.71 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.86 -25.72 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.139 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . 0.428 HG13 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.25 -57.07 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.734 0.778 . . . . 0.0 110.344 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -49.11 -23.82 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.889 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.05 -57.79 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.502 ' CE1' ' CD1' ' A' ' 729' ' ' TYR . 13.8 p90 -70.3 -22.22 62.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.365 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 3.2 m-85 -59.33 -21.34 59.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.59 89.06 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.12 148.61 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.461 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.4 ttmt 179.58 -56.39 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 29.5 Cg_endo -91.51 152.39 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.93 2.42 . . . . 0.0 112.698 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -104.53 115.9 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.11 130.52 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -63.68 126.13 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.4 ptt-85 -107.98 140.85 40.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -136.82 -171.59 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -176.82 37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -132.26 -51.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.1 mp -75.11 -31.63 61.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -50.24 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -26.22 53.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.98 76.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.94 -36.54 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.44 -24.78 67.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.21 -29.51 61.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.7 mm -55.03 -32.48 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.565 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.4 pp -91.69 -11.82 35.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.52 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.6 OUTLIER -63.15 -54.18 41.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 60.31 39.82 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -157.9 39.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.819 0.342 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.8 tttm 60.6 31.74 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.09 48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 61.08 90.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -173.68 90.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 17.4 m -96.92 40.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -141.14 38.42 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -113.57 104.05 11.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.233 0.54 . . . . 0.0 110.75 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.9 m -163.52 89.85 0.62 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.8 mp -89.27 -21.03 23.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.9 -1.3 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.625 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.4 t -63.81 -22.55 66.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.86 -32.69 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 67.8 m-85 -64.43 -28.53 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -57.27 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.675 0.75 . . . . 0.0 110.308 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -52.6 -54.57 31.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.6 t -60.12 -26.86 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.8 m-85 -80.05 -22.23 42.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.06 0.08 54.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.383 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -41.2 91.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.87 83.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.472 ' HB2' ' HD3' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -88.62 -52.88 0.36 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' A' ' 732' ' ' LYS . 27.1 Cg_endo -93.31 85.34 0.17 Allowed 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.943 2.428 . . . . 0.0 112.74 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -153.39 29.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.76 -29.06 8.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 63.35 77.53 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -174.87 5.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.73 -36.64 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.35 -73.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 69.32 -66.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.3 mp -58.59 -50.95 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.84 -50.22 21.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -55.31 -24.7 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.62 81.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.02 -33.96 76.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.51 -25.11 65.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -73.4 -29.47 62.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.37 -32.29 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.554 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.42 -12.85 27.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.612 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.42 ' N ' HD11 ' A' ' 749' ' ' LEU . 2.8 m-80 -64.41 -28.22 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 0.0 111.031 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.97 35.7 2.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.4 82.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.352 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.932 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 19.6 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.834 0.35 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt 60.53 35.83 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 60.24 85.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.63 52.92 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -76.52 -85.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.8 m -177.27 88.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 45.56 35.9 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -100.26 104.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.722 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.88 89.91 0.59 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.28 -21.53 33.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -109.61 -24.3 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -23.09 64.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.16 -32.72 70.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.047 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -65.97 -25.74 67.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 728' ' ' PHE . 0.5 OUTLIER -79.26 -57.0 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.686 0.755 . . . . 0.0 110.446 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.94 -24.02 1.34 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.806 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.07 -57.68 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.057 0.456 . . . . 0.0 111.68 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 725' ' ' VAL . 14.5 p90 -69.63 -22.77 63.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.308 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.11 -21.5 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -139.24 80.67 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 15.4 m -80.27 104.49 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.426 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.2 ttpt -59.85 -55.03 49.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 29.1 Cg_endo -91.41 177.62 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.988 2.459 . . . . 0.0 112.656 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.92 -47.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -101.04 -64.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.24 -69.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -147.08 102.69 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -130.29 130.41 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.03 86.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.32 -46.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.64 -50.79 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.15 -50.19 42.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -56.49 -25.65 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.92 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.053 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -36.24 81.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.9 mtp -65.74 -24.63 67.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -29.51 61.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.3 mm -51.21 -32.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.699 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.66 -18.53 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.362 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.415 ' N ' HD13 ' A' ' 749' ' ' LEU . 2.8 m-80 -64.71 -55.13 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.72 40.22 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.51 53.03 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.88 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.773 0.321 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 68.51 -67.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.93 78.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.66 52.88 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -168.84 68.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.83 79.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -118.5 38.89 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.14 104.01 13.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.254 0.549 . . . . 0.0 110.77 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.07 90.33 0.5 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.96 -24.97 52.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -113.47 -27.36 7.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -22.84 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.218 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.61 -32.73 74.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 49.3 m-85 -67.36 -33.27 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -56.95 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.675 0.75 . . . . 0.0 110.147 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -57.66 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.267 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.1 t -59.45 -27.57 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.205 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.0 m-85 -80.14 -24.04 40.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -99.26 -17.77 17.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.42 44.96 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 5.8 p 57.96 164.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -83.64 -54.74 0.51 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.435 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.3 Cg_endo -91.63 135.27 1.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.948 2.432 . . . . 0.0 112.668 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -147.04 -47.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -112.05 100.6 9.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.21 36.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 60.64 101.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -133.38 36.8 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.06 87.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -154.83 -51.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.42 -49.89 73.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -50.18 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -57.75 -22.89 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.64 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.243 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -39.13 45.77 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.483 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 20.4 ptp -62.03 -35.41 78.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.256 0.551 . . . . 0.0 110.693 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -29.51 70.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.731 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.7 -9.02 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.651 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.41 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -175.39 39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -157.16 63.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.865 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 60.22 33.77 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.65 41.78 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 61.63 92.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -127.57 -70.36 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.589 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.5 m -118.34 63.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -111.4 37.18 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.71 104.0 13.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.6 m -163.12 55.24 0.19 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -18.15 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.26 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . 0.433 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 62.2 m-85 -110.6 -21.5 12.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -22.52 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.297 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.25 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.367 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 47.9 m-85 -68.67 -31.18 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.155 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -57.06 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-O 121.667 0.746 . . . . 0.0 110.266 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.4 -56.32 10.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.504 -1.226 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.97 -27.05 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.293 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.9 m-85 -80.11 -22.3 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -99.3 -23.9 15.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.5 m120 66.92 -70.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 61.0 p -146.47 130.09 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -179.89 -56.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.0 Cg_endo -91.32 109.01 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.927 2.418 . . . . 0.0 112.637 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 -170.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.21 101.73 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 34.96 2.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -120.63 106.9 12.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -76.16 168.09 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.54 79.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 -65.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.56 -40.91 98.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -50.19 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 746' ' ' MET . 22.2 tm0? -57.38 -22.89 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.37 62.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -39.03 45.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.37 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 743' ' ' GLN . 21.3 ptp -62.99 -35.06 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.165 0.507 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.75 -29.45 69.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.21 -34.19 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.592 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.79 -9.02 35.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.593 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.414 ' N ' HD11 ' A' ' 749' ' ' LEU . 2.1 m-80 -65.79 -30.56 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -111.12 37.24 2.89 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 45.56 82.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.353 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.54 45.96 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 60.36 100.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -174.59 94.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 81.76 76.46 1.08 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.67 59.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 48.15 37.09 7.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.252 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -104.51 104.27 14.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.713 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.17 89.69 0.64 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp -87.14 -19.29 28.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -108.01 -21.91 12.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -25.72 67.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.16 -32.64 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.984 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -66.88 -29.0 68.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.038 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.37 -57.34 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.681 0.753 . . . . 0.0 110.358 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -55.79 18.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.252 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.6 -26.43 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.238 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -80.14 -22.08 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . 0.406 ' O ' ' CE1' ' A' ' 736' ' ' HIS . 6.1 m-85 -99.28 -21.56 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -137.09 82.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.48 -82.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.452 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -91.7 -55.36 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.062 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.452 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.7 Cg_endo -92.51 -166.97 0.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.962 2.441 . . . . 0.0 112.648 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -134.35 176.73 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 9.6 mttp 60.58 -178.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . 0.406 ' CE1' ' O ' ' A' ' 729' ' ' TYR . 62.0 m80 -148.65 36.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -118.81 118.9 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.96 99.49 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.39 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -162.99 -52.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.93 -31.79 71.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -50.22 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -26.43 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.62 78.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.51 -36.18 80.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.9 mmm -65.51 -24.95 67.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.06 -29.48 61.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm -56.64 -32.3 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.524 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.4 pp -92.06 -7.72 47.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -53.21 59.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.59 39.93 20.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.79 82.54 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.361 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.895 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.828 0.347 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 68.64 -67.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.38 86.06 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -159.1 39.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -89.6 -29.15 17.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.3 39.72 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -117.35 39.43 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -98.57 103.83 15.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 110.767 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.54 89.7 0.61 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.78 -21.75 32.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.264 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -109.38 -23.22 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -24.45 65.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.27 -32.67 70.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -66.22 -25.5 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . 0.423 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.32 -56.97 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.633 0.73 . . . . 0.0 110.381 179.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -49.1 -24.08 1.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.893 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 22.0 t -55.09 -57.68 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.728 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.487 ' CE1' ' CD1' ' A' ' 729' ' ' TYR . 10.5 p90 -70.76 -22.11 62.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.39 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . 0.487 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.8 m-85 -59.52 -21.58 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -105.64 45.21 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 60.6 m -101.31 -23.46 14.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.1 OUTLIER 178.4 -56.05 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.9 Cg_endo -91.57 141.64 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.892 2.395 . . . . 0.0 112.635 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -110.27 -31.13 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -94.46 46.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 61.17 88.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 60.04 -177.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -157.79 129.23 6.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -27.63 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 64.89 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.19 -50.87 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -46.3 41.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.777 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -31.55 66.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.65 -51.12 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.0 -24.24 57.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.08 -29.67 61.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.25 -39.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.6 pp -94.72 -7.91 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.564 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -30.73 71.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.81 0.338 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -175.07 39.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -157.09 68.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.917 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.765 0.317 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.07 -49.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -122.0 39.73 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -177.89 95.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -127.3 -82.83 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 35.9 t 57.33 78.31 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.88 36.37 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.28 103.92 10.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.47 83.69 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.93 -29.24 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -74.97 -24.39 58.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.5 m -74.65 -23.69 58.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.96 -32.8 74.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 92.2 m-85 -68.12 -33.59 74.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -56.98 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 110.223 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -50.06 -59.06 4.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.336 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.25 -26.51 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.224 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -80.09 -22.6 42.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.019 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . 0.414 ' CD2' ' HG2' ' A' ' 733' ' ' PRO . 3.3 m-85 -99.36 -27.19 13.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 54.84 24.08 5.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.9 m 58.7 108.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.459 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.1 ttmt -178.71 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.3 Cg_endo -91.05 154.11 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.81 2.34 . . . . 0.0 112.701 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -59.83 -177.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -147.01 109.14 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -61.72 -33.76 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.17 132.97 46.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 154.73 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -173.75 36.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -126.69 -47.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -36.56 77.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.09 -49.13 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.8 -25.19 18.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.45 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.05 -34.09 76.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 41.1 mmm -68.01 -25.29 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.15 -29.55 61.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm -54.43 -32.19 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.635 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 750' ' ' ASN . 2.5 pp -92.82 -13.28 29.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.687 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . 0.419 ' N ' HD13 ' A' ' 749' ' ' LEU . 3.8 m-80 -66.39 -47.98 71.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.722 0.296 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -159.36 44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -157.51 39.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.971 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -92.71 -18.68 22.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.219 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -56.31 -22.95 33.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 111.258 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.882 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.7 m-20 -70.1 -32.72 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -65.13 -26.28 68.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.16 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.597 0.713 . . . . 0.0 110.26 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.53 -38.78 9.83 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.364 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.6 t -62.6 -26.72 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.249 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.0 -22.23 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.23 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 62.4 tp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.749 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -66.37 -49.39 67.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.24 -22.86 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.225 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -73.89 -31.72 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.207 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.1 pp -74.3 -35.01 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.415 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 1.5 ppp? -64.73 -33.06 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 747' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 746' ' ' MET . 15.6 m-20 -69.79 -29.48 66.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.508 -179.639 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.855 0.359 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 721' ' ' TYR . . . . . 0.449 ' O ' HG23 ' A' ' 725' ' ' VAL . 7.9 m-85 -82.5 -22.49 35.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.9 t -66.05 -22.56 66.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.691 ' O ' HG23 ' A' ' 727' ' ' VAL . 4.3 t0 -68.28 -32.58 72.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.31 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 24.0 m-85 -77.74 -33.29 52.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.25 -56.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 179.711 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 726' ' ' ASP . . . . . 0.423 ' O ' ' CE2' ' A' ' 729' ' ' TYR . 7.7 t70 -44.92 -36.34 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.539 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 723' ' ' ASP . 34.4 t -83.18 -26.32 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.49 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 1.4 m-85 -60.9 -24.61 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 729' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 726' ' ' ASP . 2.6 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.206 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.868 0.366 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.535 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -72.24 -50.2 29.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.86 -24.76 24.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.41 82.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.4 -34.16 77.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -24.88 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.015 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.11 -29.73 61.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 748' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 745' ' ' LEU . 20.1 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.522 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.687 0.28 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.29 -21.45 10.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -22.41 60.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.152 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.836 ' O ' HG23 ' A' ' 727' ' ' VAL . 8.0 t0 -64.98 -32.66 74.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -59.12 -31.64 69.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 725' ' ' VAL . 0.6 OUTLIER -79.34 -57.04 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 110.118 179.637 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -47.55 -48.05 27.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.7 t -61.02 -26.68 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.12 -22.14 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 741' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.776 0.322 . . . . 0.0 111.263 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.719 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -77.38 -50.27 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.89 -32.81 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.79 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.035 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.719 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -62.77 -36.87 84.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.676 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.52 -25.47 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.9 mm . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.736 -179.472 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.889 0.376 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.98 -20.02 31.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 93.1 p -60.83 -31.3 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.856 ' O ' HG23 ' A' ' 727' ' ' VAL . 24.6 t70 -70.29 -32.73 70.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD2' ' A' ' 728' ' ' PHE . 45.8 m-85 -68.83 -28.07 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 CA-C-O 121.631 0.729 . . . . 0.0 110.356 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -45.24 -41.75 8.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.454 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 723' ' ' ASP . 38.4 t -65.18 -30.07 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.409 . . . . 0.0 111.212 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 724' ' ' TYR . 11.8 m-85 -80.08 -22.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.569 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -68.97 -49.97 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -53.68 -25.43 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.05 83.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -63.44 -34.0 76.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.764 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mtt -67.64 -24.31 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.987 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.13 -29.67 61.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.673 -179.634 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.988 0.423 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -83.48 -18.36 38.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.5 m -57.19 -22.66 42.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.241 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.89 ' O ' HG23 ' A' ' 727' ' ' VAL . 7.8 t0 -69.3 -32.73 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.03 -26.83 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.408 HG12 ' HE1' ' A' ' 729' ' ' TYR . 0.6 OUTLIER -79.26 -57.21 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.692 0.758 . . . . 0.0 110.236 179.723 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.43 -41.32 13.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.325 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 723' ' ' ASP . 32.8 t -63.59 -27.0 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -80.12 -22.12 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 729' ' ' TYR . . . . . 0.408 ' HE1' HG12 ' A' ' 725' ' ' VAL . 28.8 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.617 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -60.21 -43.47 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.96 -27.07 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.13 89.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.0 OUTLIER -62.89 -32.76 74.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.406 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 15.4 mmm -67.87 -25.42 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.46 -29.51 62.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 32.6 mm . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.372 -179.751 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 721' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 725' ' ' VAL . 76.4 m-85 -111.19 -23.38 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.324 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -27.34 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 727' ' ' VAL . 20.2 t70 -70.07 -32.78 71.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 47.7 m-85 -72.05 -31.95 66.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.33 -57.08 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-O 121.625 0.726 . . . . 0.0 110.212 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -55.11 10.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 723' ' ' ASP . 29.0 t -62.85 -30.08 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 111.186 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.3 m-85 -80.23 -23.18 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.275 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.912 0.387 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 745' ' ' LEU . 0.2 OUTLIER -60.08 -50.22 74.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 746' ' ' MET . 6.1 mt-30 -57.58 -22.85 47.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.33 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.158 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.766 ' HA ' HD12 ' A' ' 748' ' ' ILE . 0.8 OUTLIER -77.73 -38.86 46.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.403 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 18.5 ptm -62.61 -34.85 77.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 110.799 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -29.58 69.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 748' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 745' ' ' LEU . 13.7 mt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.18 -19.36 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 24.3 t -60.26 -24.07 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.9 t70 -70.17 -32.67 70.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -65.51 -26.22 67.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -57.11 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 121.7 0.762 . . . . 0.0 110.339 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.04 -40.49 14.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.388 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 723' ' ' ASP . 36.5 t -64.4 -26.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.242 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.08 -22.25 42.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.194 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -75.27 -32.49 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -70.8 -30.52 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.624 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.66 67.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.638 ' HA ' HD12 ' A' ' 748' ' ' ILE . 0.7 OUTLIER -73.58 -31.19 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.56 -26.49 65.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -74.09 -29.63 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 748' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 745' ' ' LEU . 25.0 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.541 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.795 0.331 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -111.96 -23.85 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -22.52 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.706 ' O ' HG23 ' A' ' 727' ' ' VAL . 10.3 m-20 -62.85 -32.65 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 89.0 m-85 -63.9 -30.6 71.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 725' ' ' VAL . 0.6 OUTLIER -79.26 -57.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.698 0.761 . . . . 0.0 110.238 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.86 -57.13 10.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.7 t -58.36 -26.39 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -79.99 -22.2 42.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 741' ' ' LEU . 12.6 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.4 mm? -68.02 -50.15 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -54.1 -25.17 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.33 83.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.29 -34.2 77.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 55.7 mtt -67.99 -25.06 65.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -29.65 61.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 -179.657 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.924 0.392 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 721' ' ' TYR . . . . . 0.435 ' O ' HG23 ' A' ' 725' ' ' VAL . 4.9 m-85 -83.72 -22.94 31.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.2 t -65.55 -22.6 66.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.8 t0 -66.76 -32.64 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 111.191 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -78.49 -35.19 46.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.066 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.27 -56.47 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-O 121.728 0.775 . . . . 0.0 110.157 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -47.86 -58.04 4.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.408 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 723' ' ' ASP . 41.4 t -61.11 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 111.259 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.06 -24.13 40.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.072 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.261 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.69 0.281 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.709 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.2 mm? -76.59 -50.2 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.41 -26.09 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.24 -39.91 82.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.0 OUTLIER -64.73 -32.9 74.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.412 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 19.2 mtp -68.08 -24.66 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.19 -29.68 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.481 -179.61 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 721' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 725' ' ' VAL . 13.5 m-85 -120.56 -15.62 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.595 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -22.42 65.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.829 ' O ' HG23 ' A' ' 727' ' ' VAL . 27.2 m-20 -68.51 -32.67 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 725' ' ' VAL . 0.5 OUTLIER -79.28 -54.83 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.49 -43.59 5.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.738 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 723' ' ' ASP . 48.1 t -59.25 -28.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.277 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.17 -22.21 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.053 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.862 0.363 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.686 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -68.58 -50.18 53.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -56.95 -24.38 52.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.87 79.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.686 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.9 OUTLIER -65.49 -36.97 85.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.866 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 16.9 mtm -65.79 -24.28 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.18 -29.54 61.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.639 -179.61 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 721' ' ' TYR . . . . . 0.432 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 65.8 m-85 -110.63 -19.72 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -22.31 64.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.357 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.6 t0 -65.7 -32.69 74.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 59.4 m-85 -67.35 -26.81 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.3 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 729' ' ' TYR . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 121.721 0.772 . . . . 0.0 110.318 179.664 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.17 -41.77 13.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.7 t -63.55 -27.06 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.269 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -80.12 -22.06 42.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 729' ' ' TYR . . . . . 0.506 ' CE2' HG12 ' A' ' 725' ' ' VAL . 35.1 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.4 mm? -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.32 -22.81 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.7 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -72.43 -36.2 68.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.21 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 747' ' ' ASP . 1.3 ptm -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 747' ' ' ASP . . . . . 0.495 ' N ' ' HG3' ' A' ' 746' ' ' MET . 18.1 t0 -66.85 -29.45 69.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.221 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.548 -179.611 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.658 0.266 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.26 -21.07 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -22.49 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.706 ' O ' HG23 ' A' ' 727' ' ' VAL . 11.4 m-20 -67.59 -32.62 73.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -65.91 -26.56 67.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.24 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.615 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.23 -56.99 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.772 0.796 . . . . 0.0 110.336 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -48.54 -24.11 1.2 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.851 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 723' ' ' ASP . 22.8 t -55.01 -57.78 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.743 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.615 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 10.3 p90 -71.02 -22.15 62.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.439 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 729' ' ' TYR . . . . . 0.497 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.7 m-85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.773 0.32 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -66.0 -50.16 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -56.78 -25.51 55.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.02 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -67.48 -35.96 80.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.903 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.9 mmm -65.69 -25.02 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.21 -29.54 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 33.5 mm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.724 -179.46 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.33 -23.13 11.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -22.53 66.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 727' ' ' VAL . 4.5 t70 -70.19 -32.71 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.86 -25.72 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.139 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.511 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.25 -57.07 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.734 0.778 . . . . 0.0 110.344 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -49.11 -23.82 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.889 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.6 t -55.05 -57.79 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.511 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 13.8 p90 -70.3 -22.22 62.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.365 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 729' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 3.2 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -66.73 -50.24 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -26.22 53.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.98 76.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -67.94 -36.54 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.861 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.44 -24.78 67.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.21 -29.51 61.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.565 -179.609 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.757 0.313 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.9 -1.3 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.625 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.4 t -63.81 -22.55 66.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.717 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.1 m-20 -66.86 -32.69 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 67.8 m-85 -64.43 -28.53 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -57.27 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.675 0.75 . . . . 0.0 110.308 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -52.6 -54.57 31.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 723' ' ' ASP . 27.6 t -60.12 -26.86 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.8 m-85 -80.05 -22.23 42.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.383 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.819 0.342 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.8 mm? -73.84 -50.22 21.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.31 -24.7 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.62 81.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -64.02 -33.96 76.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.402 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 2.6 mmt -67.51 -25.11 65.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -73.4 -29.47 62.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.9 mm . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.554 -179.788 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.359 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -109.61 -24.3 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -23.09 64.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.0 OUTLIER -70.16 -32.72 70.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.047 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -65.97 -25.74 67.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.437 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.5 OUTLIER -79.26 -57.0 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.686 0.755 . . . . 0.0 110.446 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.94 -24.02 1.34 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.806 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.6 t -55.07 -57.68 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.057 0.456 . . . . 0.0 111.68 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.437 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 14.5 p90 -69.63 -22.77 63.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.308 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.153 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 742' ' ' LEU . 0.4 OUTLIER -70.15 -50.19 42.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -56.49 -25.65 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.92 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.053 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.451 HD23 HD22 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -66.94 -36.24 81.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.9 mtp -65.74 -24.63 67.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -29.51 61.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.699 -179.561 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.878 0.371 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -113.47 -27.36 7.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -22.84 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.218 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 727' ' ' VAL . 6.9 t70 -65.61 -32.73 74.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 49.3 m-85 -67.36 -33.27 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -56.95 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.675 0.75 . . . . 0.0 110.147 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -57.66 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.267 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.1 t -59.45 -27.57 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.205 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.0 m-85 -80.14 -24.04 40.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -63.05 -50.18 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 746' ' ' MET . 27.2 mt-30 -57.75 -22.89 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.64 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.243 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 745' ' ' LEU . 0.8 OUTLIER -77.69 -39.13 45.77 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.483 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 20.4 ptp -62.03 -35.41 78.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.256 0.551 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -29.51 70.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.8 mm . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.731 -179.574 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.726 0.298 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 721' ' ' TYR . . . . . 0.448 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 62.2 m-85 -110.6 -21.5 12.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -22.52 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.297 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.3 t70 -65.25 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 47.9 m-85 -68.67 -31.18 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.155 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -57.06 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-O 121.667 0.746 . . . . 0.0 110.266 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.4 -56.32 10.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.504 -1.226 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.0 t -60.97 -27.05 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.9 m-85 -80.11 -22.3 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -60.39 -50.19 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.418 ' HA ' ' HG2' ' A' ' 746' ' ' MET . 22.2 tm0? -57.38 -22.89 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.37 62.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.509 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -77.79 -39.03 45.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.37 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 743' ' ' GLN . 21.3 ptp -62.99 -35.06 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.165 0.507 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.75 -29.45 69.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.1 mm . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.592 -179.664 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.686 0.279 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -108.01 -21.91 12.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -25.72 67.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.679 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.6 m-20 -70.16 -32.64 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.984 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -66.88 -29.0 68.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.038 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.37 -57.34 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.681 0.753 . . . . 0.0 110.358 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -55.79 18.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.252 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 723' ' ' ASP . 37.5 t -59.6 -26.43 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.238 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -80.14 -22.08 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -68.8 -50.22 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -26.43 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.62 78.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -67.51 -36.18 80.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.9 mmm -65.51 -24.95 67.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.06 -29.48 61.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.524 -179.692 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -109.38 -23.22 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -24.45 65.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.6 t0 -70.27 -32.67 70.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -66.22 -25.5 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 725' ' ' VAL . . . . . 0.59 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.32 -56.97 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.633 0.73 . . . . 0.0 110.381 179.809 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 726' ' ' ASP . . . . . 0.4 ' HA ' ' HB2' ' A' ' 729' ' ' TYR . 11.2 t70 -49.1 -24.08 1.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.893 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 723' ' ' ASP . 22.0 t -55.09 -57.68 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.728 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 10.5 p90 -70.76 -22.11 62.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.39 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 729' ' ' TYR . . . . . 0.487 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.8 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -46.3 41.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.777 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -31.55 66.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 748' ' ' ILE . 4.6 tp -65.65 -51.12 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.0 -24.24 57.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.08 -29.67 61.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 748' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 745' ' ' LEU . 13.8 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -74.97 -24.39 58.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.5 m -74.65 -23.69 58.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 727' ' ' VAL . 6.3 t70 -65.96 -32.8 74.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 92.2 m-85 -68.12 -33.59 74.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -56.98 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 110.223 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -50.06 -59.06 4.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.336 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 727' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.6 t -58.25 -26.51 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.224 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -80.09 -22.6 42.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.019 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.5 mm? -68.09 -49.13 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.8 -25.19 18.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.45 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.05 -34.09 76.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 41.1 mmm -68.01 -25.29 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.15 -29.55 61.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.635 -179.62 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.87 0.367 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 59.87 30.44 19.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 713' ' ' LEU . 0.4 OUTLIER -176.53 52.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.55 95.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.47 2.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.534 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.89 52.41 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -110.8 36.98 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.69 103.86 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.767 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 60.2 p 45.55 82.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.494 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.444 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.5 OUTLIER -81.68 -22.86 37.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -92.71 -18.68 22.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.219 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -56.31 -22.95 33.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 111.258 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.882 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.7 m-20 -70.1 -32.72 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -65.13 -26.28 68.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.16 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.597 0.713 . . . . 0.0 110.26 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.53 -38.78 9.83 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.364 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.6 t -62.6 -26.72 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.249 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.0 -22.23 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.78 -16.97 57.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.4 m120 62.62 40.62 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 43.8 p -126.39 134.38 51.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.8 ttmt -179.67 -56.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.2 Cg_endo -91.29 86.84 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.866 2.378 . . . . 0.0 112.688 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -101.26 -31.45 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.26 -49.84 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -157.68 -73.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 68.74 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -118.38 102.87 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -61.39 85.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.57 -44.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.5 -45.07 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.749 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -66.37 -49.39 67.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.24 -22.86 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.225 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -73.89 -31.72 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.207 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.1 pp -74.3 -35.01 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.415 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 1.5 ppp? -64.73 -33.06 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 747' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 746' ' ' MET . 15.6 m-20 -69.79 -29.48 66.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.2 mm -56.87 -32.77 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.508 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.5 pp -94.43 -7.64 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.552 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.52 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -61.16 -35.5 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -112.28 37.69 2.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -156.49 81.69 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.875 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? 68.33 -69.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.62 63.84 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.31 92.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 154.3 43.9 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.39 50.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 36.5 2.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.88 104.22 13.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.729 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.4 m -162.44 89.6 0.69 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.8 OUTLIER -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.019 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.449 ' O ' HG23 ' A' ' 725' ' ' VAL . 7.9 m-85 -82.5 -22.49 35.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.9 t -66.05 -22.56 66.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.691 ' O ' HG23 ' A' ' 727' ' ' VAL . 4.3 t0 -68.28 -32.58 72.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.31 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 24.0 m-85 -77.74 -33.29 52.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.25 -56.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 179.711 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 726' ' ' ASP . . . . . 0.423 ' O ' ' CE2' ' A' ' 729' ' ' TYR . 7.7 t70 -44.92 -36.34 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.539 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 723' ' ' ASP . 34.4 t -83.18 -26.32 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.49 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 1.4 m-85 -60.9 -24.61 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 726' ' ' ASP . 2.6 p90 -99.48 -21.35 15.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.206 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.55 36.74 1.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.84 57.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.473 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.0 OUTLIER -179.82 -56.52 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.1 Cg_endo -91.21 98.62 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.879 2.386 . . . . 0.0 112.678 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -136.25 117.66 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -142.16 130.97 22.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.9 5.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 60.74 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -116.41 44.4 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.65 88.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -68.3 -34.74 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.44 -50.98 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.535 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -72.24 -50.2 29.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.86 -24.76 24.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.41 82.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.4 -34.16 77.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -24.88 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.015 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.11 -29.73 61.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 745' ' ' LEU . 20.1 mt -72.43 -37.78 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.522 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.72 -7.17 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.616 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.512 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -60.36 -30.5 69.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.765 0.317 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -159.05 58.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.32 53.05 2.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.853 0.359 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.02 76.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.33 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 61.22 84.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -113.61 -30.01 2.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.57 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -118.71 38.58 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -108.11 104.28 13.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 0.0 110.7 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.2 m -161.95 89.41 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.8 OUTLIER -87.6 -18.8 28.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.191 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.29 -21.45 10.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -22.41 60.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.152 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.836 ' O ' HG23 ' A' ' 727' ' ' VAL . 8.0 t0 -64.98 -32.66 74.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -59.12 -31.64 69.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 725' ' ' VAL . 0.6 OUTLIER -79.34 -57.04 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 110.118 179.637 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -47.55 -48.05 27.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.7 t -61.02 -26.68 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.12 -22.14 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.35 -18.89 58.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 62.19 45.15 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 60.9 m -124.32 132.08 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER 179.62 -56.12 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.6 Cg_endo -91.62 164.36 3.46 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.925 2.417 . . . . 0.0 112.701 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 60.6 34.36 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -70.0 137.58 51.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -98.61 -177.2 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -91.87 -172.59 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.1 143.36 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -176.48 -53.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.51 -27.81 69.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 741' ' ' LEU . 0.2 OUTLIER -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.263 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.719 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -77.38 -50.27 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.89 -32.81 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.79 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.035 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.719 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -62.77 -36.87 84.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.676 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.52 -25.47 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.25 -32.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.736 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.6 -19.79 22.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.776 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -66.18 -34.58 78.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 61.32 39.81 15.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.58 53.17 2.72 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.963 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.788 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -86.57 -35.64 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 713' ' ' LEU . 4.5 mm? -115.7 39.89 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.08 81.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 158.89 -69.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 28.9 t 59.7 88.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -142.11 39.09 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -104.62 103.79 13.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 110.736 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.59 83.03 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.304 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.3 OUTLIER -71.43 -23.99 61.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.02 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.98 -20.02 31.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 93.1 p -60.83 -31.3 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.856 ' O ' HG23 ' A' ' 727' ' ' VAL . 24.6 t70 -70.29 -32.73 70.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD2' ' A' ' 728' ' ' PHE . 45.8 m-85 -68.83 -28.07 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 CA-C-O 121.631 0.729 . . . . 0.0 110.356 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -45.24 -41.75 8.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.454 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 723' ' ' ASP . 38.4 t -65.18 -30.07 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.409 . . . . 0.0 111.212 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 724' ' ' TYR . 11.8 m-85 -80.08 -22.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.16 -24.0 15.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 57.25 33.71 23.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 17.2 p -59.1 122.47 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.442 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -87.51 -54.4 0.37 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.442 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.2 Cg_endo -91.76 -167.26 0.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.006 2.47 . . . . 0.0 112.683 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -148.19 -51.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.83 144.33 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -86.08 100.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -129.27 30.52 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 59.43 169.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -176.58 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 68.22 -68.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.0 tp -63.86 -47.47 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.569 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -68.97 -49.97 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -53.68 -25.43 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.05 83.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -63.44 -34.0 76.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.764 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mtt -67.64 -24.31 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.987 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.13 -29.67 61.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 21.0 mt -76.36 -34.81 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.673 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.501 HD12 ' C ' ' A' ' 749' ' ' LEU . 2.6 pp -94.76 -6.98 41.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.606 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.498 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.2 OUTLIER -60.83 -45.55 94.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.799 0.333 . . . . 0.0 110.814 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -156.92 39.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 45.44 82.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.357 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.85 0.357 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -79.39 95.08 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.35 39.8 18.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.05 95.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.31 32.95 5.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 3.4 p 50.07 62.69 2.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 111.196 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.79 36.47 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.71 104.33 12.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.686 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.3 m -162.83 89.4 0.65 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.3 OUTLIER -85.75 -26.13 26.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -83.48 -18.36 38.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.5 m -57.19 -22.66 42.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.241 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.89 ' O ' HG23 ' A' ' 727' ' ' VAL . 7.8 t0 -69.3 -32.73 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.03 -26.83 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.408 HG12 ' HE1' ' A' ' 729' ' ' TYR . 0.6 OUTLIER -79.26 -57.21 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.692 0.758 . . . . 0.0 110.236 179.723 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.43 -41.32 13.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.325 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 723' ' ' ASP . 32.8 t -63.59 -27.0 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -80.12 -22.12 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.408 ' HE1' HG12 ' A' ' 725' ' ' VAL . 28.8 m-85 -77.76 -21.4 51.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.55 80.85 7.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.8 p -132.04 40.53 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.503 ' HB2' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -78.94 -50.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 732' ' ' LYS . 23.7 Cg_endo -93.81 -175.25 0.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.994 2.463 . . . . 0.0 112.696 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -134.89 -48.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 111.27 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.2 31.23 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -110.83 99.87 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -89.93 -31.72 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -176.51 37.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -98.78 -47.75 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.6 tp -82.61 -36.72 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.617 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -60.21 -43.47 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.96 -27.07 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.13 89.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.0 OUTLIER -62.89 -32.76 74.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.406 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 15.4 mmm -67.87 -25.42 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.46 -29.51 62.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.07 -32.3 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.372 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.45 -8.65 37.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.567 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.542 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -61.95 -31.27 71.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -119.39 41.1 3.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.14 52.94 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 14.2 p30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.85 0.357 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -36.1 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.95 39.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 60.84 92.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 176.83 -65.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.584 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.09 77.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -149.46 38.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.52 103.91 13.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.24 0.543 . . . . 0.0 110.738 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.56 78.29 0.35 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.485 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.2 mp -75.46 -21.27 58.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 725' ' ' VAL . 76.4 m-85 -111.19 -23.38 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.324 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -27.34 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 727' ' ' VAL . 20.2 t70 -70.07 -32.78 71.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 47.7 m-85 -72.05 -31.95 66.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.33 -57.08 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-O 121.625 0.726 . . . . 0.0 110.212 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -55.11 10.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 723' ' ' ASP . 29.0 t -62.85 -30.08 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 111.186 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.3 m-85 -80.23 -23.18 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -99.32 -21.28 16.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.275 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.38 -65.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.427 ' HA ' ' CD2' ' A' ' 734' ' ' TYR . 0.2 OUTLIER 62.71 29.24 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.7 ttmt -93.35 -55.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.3 Cg_endo -92.53 58.33 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.927 2.418 . . . . 0.0 112.686 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 734' ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' A' ' 731' ' ' THR . 0.3 OUTLIER -101.93 162.87 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.8 tttt 60.69 35.96 19.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -74.71 -65.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -67.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 62.63 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.26 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -35.04 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.68 -31.95 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 745' ' ' LEU . 0.2 OUTLIER -60.08 -50.22 74.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 746' ' ' MET . 6.1 mt-30 -57.58 -22.85 47.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.33 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.158 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.766 ' HA ' HD12 ' A' ' 748' ' ' ILE . 0.8 OUTLIER -77.73 -38.86 46.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.403 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 18.5 ptm -62.61 -34.85 77.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 110.799 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -29.58 69.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 745' ' ' LEU . 13.7 mt -76.42 -36.41 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.658 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.501 HD12 ' C ' ' A' ' 749' ' ' LEU . 2.7 pp -94.83 -6.67 42.29 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.598 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.486 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -60.47 -52.82 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 58.78 39.51 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.6 82.29 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.346 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.943 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.872 0.368 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.84 34.9 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.7 41.02 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 61.32 40.14 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -110.82 -35.05 2.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.416 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.5 m -149.46 82.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -110.33 36.64 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.17 104.04 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.761 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 719' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' A' ' 722' ' ' SER . 0.1 OUTLIER 46.24 83.55 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.294 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.3 OUTLIER -72.28 -21.04 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.091 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.18 -19.36 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 722' ' ' SER . . . . . 0.427 ' CB ' ' HB3' ' A' ' 719' ' ' SER . 24.3 t -60.26 -24.07 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.9 t70 -70.17 -32.67 70.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -65.51 -26.22 67.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -57.11 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 121.7 0.762 . . . . 0.0 110.339 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.04 -40.49 14.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.388 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 723' ' ' ASP . 36.5 t -64.4 -26.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.242 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.08 -22.25 42.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -92.72 -21.29 20.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.97 -40.11 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.5 119.89 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.5 OUTLIER -85.16 -54.97 0.43 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.4 Cg_endo -91.56 128.79 1.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.975 2.45 . . . . 0.0 112.653 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -149.47 32.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.94 -57.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 60.81 157.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -94.69 -177.63 4.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -60.46 117.73 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.16 78.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -70.43 -31.75 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.19 -34.14 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -75.27 -32.49 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -70.8 -30.52 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.624 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.66 67.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.638 ' HA ' HD12 ' A' ' 748' ' ' ILE . 0.7 OUTLIER -73.58 -31.19 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.56 -26.49 65.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -74.09 -29.63 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 745' ' ' LEU . 25.0 mt -65.92 -38.96 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.541 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.71 -8.78 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.646 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.526 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -65.93 -15.15 62.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.621 0.248 . . . . 0.0 111.322 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.87 62.09 0.47 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.62 52.73 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 12.0 p30 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.906 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -101.0 93.99 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.81 52.68 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 60.85 80.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -125.93 58.95 0.67 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.2 m -97.49 39.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 45.69 35.49 2.2 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -109.9 104.22 13.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.721 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -164.28 90.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.7 mp -82.27 -23.21 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -111.96 -23.85 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -22.52 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.706 ' O ' HG23 ' A' ' 727' ' ' VAL . 10.3 m-20 -62.85 -32.65 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 89.0 m-85 -63.9 -30.6 71.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 725' ' ' VAL . 0.6 OUTLIER -79.26 -57.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.698 0.761 . . . . 0.0 110.238 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.86 -57.13 10.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.7 t -58.36 -26.39 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -79.99 -22.2 42.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -86.49 -21.05 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 60.55 35.91 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 26.7 m -78.38 80.29 4.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -87.57 -54.86 0.35 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.446 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.0 Cg_endo -91.78 -172.2 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.003 2.468 . . . . 0.0 112.698 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -85.03 -74.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -176.05 117.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -70.23 155.69 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -158.93 83.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -175.65 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.53 72.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -152.09 -59.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 741' ' ' LEU . 12.6 tp -60.22 -49.84 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.4 mm? -68.02 -50.15 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -54.1 -25.17 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.33 83.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.29 -34.2 77.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 55.7 mtt -67.99 -25.06 65.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -29.65 61.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.95 -38.45 75.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.78 -7.37 40.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.58 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.515 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.6 OUTLIER -60.76 -30.93 70.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.51 38.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -157.58 80.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.878 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.855 0.359 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.64 36.51 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.47 41.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.51 40.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -78.67 -55.42 3.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.89 80.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -140.14 38.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.97 103.97 13.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.721 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 719' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 722' ' ' SER . 3.7 m -162.21 89.51 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.8 OUTLIER -57.75 -27.68 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.435 ' O ' HG23 ' A' ' 725' ' ' VAL . 4.9 m-85 -83.72 -22.94 31.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 722' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 719' ' ' SER . 16.2 t -65.55 -22.6 66.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.8 t0 -66.76 -32.64 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 111.191 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -78.49 -35.19 46.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.066 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.27 -56.47 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-O 121.728 0.775 . . . . 0.0 110.157 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -47.86 -58.04 4.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.408 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 723' ' ' ASP . 41.4 t -61.11 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 111.259 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.06 -24.13 40.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.072 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -99.32 -20.57 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.261 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.55 -69.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 6.5 p 57.0 105.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.45 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.0 OUTLIER -66.94 -54.97 17.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 27.7 Cg_endo -91.68 -167.35 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.01 2.473 . . . . 0.0 112.681 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.25 -169.83 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -59.88 -39.68 86.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -128.53 150.19 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -67.2 75.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.76 101.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -177.03 89.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -65.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 tp -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.087 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.709 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.2 mm? -76.59 -50.2 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.41 -26.09 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.24 -39.91 82.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.0 OUTLIER -64.73 -32.9 74.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.412 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 19.2 mtp -68.08 -24.66 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.19 -29.68 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 31.2 mm -69.58 -38.03 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.481 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.78 -7.24 41.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.593 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.508 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -63.2 -27.83 69.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.773 0.32 . . . . 0.0 111.091 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -108.78 36.27 2.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.996 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.07 53.41 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.876 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.769 0.318 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -161.09 87.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.22 47.13 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -175.54 79.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -121.32 29.37 5.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.581 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.6 m 59.3 78.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -143.24 38.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.8 103.89 10.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.289 0.566 . . . . 0.0 110.716 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 719' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 722' ' ' SER . 2.1 m -87.94 53.45 2.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.056 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.07 -21.51 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 725' ' ' VAL . 13.5 m-85 -120.56 -15.62 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.595 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 722' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 719' ' ' SER . 0.1 OUTLIER -67.37 -22.42 65.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.829 ' O ' HG23 ' A' ' 727' ' ' VAL . 27.2 m-20 -68.51 -32.67 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 725' ' ' VAL . 0.5 OUTLIER -79.28 -54.83 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.49 -43.59 5.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.738 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 723' ' ' ASP . 48.1 t -59.25 -28.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.277 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.17 -22.21 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.053 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -74.71 -18.18 60.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 64.33 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 23.6 m -112.87 -32.52 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.1 OUTLIER 174.1 -55.9 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.989 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 29.3 Cg_endo -91.5 -166.78 0.19 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.93 2.42 . . . . 0.0 112.667 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.06 100.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.25 112.48 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 736' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 741' ' ' LEU . 0.3 OUTLIER 61.12 -176.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.78 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.26 33.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -118.81 27.2 9.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.56 37.64 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.468 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -124.54 -54.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 736' ' ' HIS . 18.4 tp -59.73 -50.83 72.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.686 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -68.58 -50.18 53.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -56.95 -24.38 52.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.87 79.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.686 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.9 OUTLIER -65.49 -36.97 85.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.866 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 16.9 mtm -65.79 -24.28 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.18 -29.54 61.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.66 -38.25 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.639 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.71 -9.52 34.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.642 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.536 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.4 OUTLIER -71.42 -32.46 68.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.813 0.339 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 62.01 39.13 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 43.74 39.11 2.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.601 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.916 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 17.7 tttt 60.87 28.72 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 58.75 94.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -177.59 95.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -155.32 -77.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 97.5 p -141.68 57.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -110.33 36.73 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -109.07 104.16 13.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.669 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.02 89.99 0.58 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.412 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.1 mp -85.76 -21.28 28.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.432 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 65.8 m-85 -110.63 -19.72 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -22.31 64.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.357 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.6 t0 -65.7 -32.69 74.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 59.4 m-85 -67.35 -26.81 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.3 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 729' ' ' TYR . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 121.721 0.772 . . . . 0.0 110.318 179.664 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.17 -41.77 13.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.7 t -63.55 -27.06 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.269 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -80.12 -22.06 42.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.506 ' CE2' HG12 ' A' ' 725' ' ' VAL . 35.1 m-85 -97.61 -21.19 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -65.7 96.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 43.6 m -160.56 133.97 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.458 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.8 ttmt -82.07 -55.0 0.61 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.2 Cg_endo -91.67 138.71 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.99 2.46 . . . . 0.0 112.646 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.93 143.82 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.97 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -142.75 -66.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 158.88 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -147.93 124.96 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.07 80.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.97 -43.94 2.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.23 -50.93 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.4 mm? -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.32 -22.81 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.7 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -72.43 -36.2 68.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.21 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 747' ' ' ASP . 1.3 ptm -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 747' ' ' ASP . . . . . 0.495 ' N ' ' HG3' ' A' ' 746' ' ' MET . 18.1 t0 -66.85 -29.45 69.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.221 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 58.9 mt -58.97 -33.03 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.548 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.71 -7.8 39.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.578 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.525 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.793 0.33 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.38 37.47 2.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.11 52.82 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.797 0.332 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.04 67.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.67 66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -177.15 85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 168.55 79.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.545 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.8 t -116.55 66.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.15 37.95 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -117.65 104.03 10.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.517 . . . . 0.0 110.756 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.2 m -162.21 89.36 0.7 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 720' ' ' LEU . 1.1 mp -89.21 -17.85 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.247 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.26 -21.07 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -22.49 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.706 ' O ' HG23 ' A' ' 727' ' ' VAL . 11.4 m-20 -67.59 -32.62 73.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -65.91 -26.56 67.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.24 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.615 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.23 -56.99 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.772 0.796 . . . . 0.0 110.336 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -48.54 -24.11 1.2 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.851 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 723' ' ' ASP . 22.8 t -55.01 -57.78 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.743 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.615 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 10.3 p90 -71.02 -22.15 62.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.439 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.497 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.7 m-85 -59.27 -21.6 59.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.08 81.45 2.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 12.3 m -101.11 134.35 44.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.47 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER 179.66 -56.22 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.049 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.5 Cg_endo -91.44 138.45 2.19 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.881 2.387 . . . . 0.0 112.709 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -118.09 156.22 29.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -60.04 87.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 31.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.21 84.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.59 -32.53 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 740' ' ' ARG . . . . . 0.619 ' HG3' HD12 ' A' ' 741' ' ' LEU . 7.0 ptm180 -70.28 -34.36 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.619 HD12 ' HG3' ' A' ' 740' ' ' ARG . 11.0 mp -78.98 -40.3 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -66.0 -50.16 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -56.78 -25.51 55.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.02 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -67.48 -35.96 80.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.903 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.9 mmm -65.69 -25.02 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.21 -29.54 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.56 -32.67 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.724 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.61 -17.98 24.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.745 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -65.38 -57.82 7.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.58 38.59 25.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 45.2 39.61 4.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.438 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.873 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -122.64 39.28 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.98 86.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 60.95 87.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.72 31.74 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.58 77.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.12 38.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.4 104.07 13.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.277 0.56 . . . . 0.0 110.671 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.16 89.97 0.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.2 mp -84.01 -21.8 31.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.33 -23.13 11.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -22.53 66.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 727' ' ' VAL . 4.5 t70 -70.19 -32.71 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.86 -25.72 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.139 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.511 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.25 -57.07 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.734 0.778 . . . . 0.0 110.344 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -49.11 -23.82 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.889 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.6 t -55.05 -57.79 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.511 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 13.8 p90 -70.3 -22.22 62.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.365 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 3.2 m-85 -59.33 -21.34 59.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.59 89.06 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.12 148.61 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.476 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.4 ttmt 179.58 -56.39 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 29.5 Cg_endo -91.51 152.39 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.93 2.42 . . . . 0.0 112.698 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -104.53 115.9 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.11 130.52 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -63.68 126.13 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.4 ptt-85 -107.98 140.85 40.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -136.82 -171.59 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -176.82 37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -132.26 -51.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.1 mp -75.11 -31.63 61.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -66.73 -50.24 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -26.22 53.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.98 76.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -67.94 -36.54 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.861 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.44 -24.78 67.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.21 -29.51 61.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.7 mm -55.03 -32.48 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.565 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.4 pp -91.69 -11.82 35.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.52 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.608 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.6 OUTLIER -63.15 -54.18 41.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 60.31 39.82 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -157.9 39.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.819 0.342 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.8 tttm 60.6 31.74 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.09 48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 61.08 90.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -173.68 90.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 17.4 m -96.92 40.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -141.14 38.42 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -113.57 104.05 11.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.233 0.54 . . . . 0.0 110.75 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.9 m -163.52 89.85 0.62 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.8 mp -89.27 -21.03 23.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.9 -1.3 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.625 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.4 t -63.81 -22.55 66.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.717 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.1 m-20 -66.86 -32.69 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 67.8 m-85 -64.43 -28.53 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -57.27 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.675 0.75 . . . . 0.0 110.308 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -52.6 -54.57 31.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 723' ' ' ASP . 27.6 t -60.12 -26.86 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.8 m-85 -80.05 -22.23 42.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.06 0.08 54.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.383 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 730' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 731' ' ' THR . 0.1 OUTLIER -59.9 -41.2 91.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 730' ' ' ASN . 0.8 OUTLIER -164.87 83.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.46 ' HB2' ' HD3' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -88.62 -52.88 0.36 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 732' ' ' LYS . 27.1 Cg_endo -93.31 85.34 0.17 Allowed 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.943 2.428 . . . . 0.0 112.74 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -153.39 29.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.76 -29.06 8.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 63.35 77.53 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -174.87 5.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.73 -36.64 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.35 -73.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 69.32 -66.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.3 mp -58.59 -50.95 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.8 mm? -73.84 -50.22 21.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.31 -24.7 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.62 81.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -64.02 -33.96 76.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.402 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 2.6 mmt -67.51 -25.11 65.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -73.4 -29.47 62.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.37 -32.29 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.554 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.42 -12.85 27.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.612 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.61 ' N ' HD12 ' A' ' 749' ' ' LEU . 2.8 m-80 -64.41 -28.22 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 0.0 111.031 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.97 35.7 2.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.4 82.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.352 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.932 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 19.6 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.834 0.35 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt 60.53 35.83 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 713' ' ' LEU . 1.1 tm? 60.24 85.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.63 52.92 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -76.52 -85.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.8 m -177.27 88.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 45.56 35.9 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -100.26 104.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.722 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.88 89.91 0.59 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.439 ' H ' HD12 ' A' ' 720' ' ' LEU . 2.0 mp -83.28 -21.53 33.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -109.61 -24.3 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -23.09 64.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.0 OUTLIER -70.16 -32.72 70.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.047 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -65.97 -25.74 67.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.437 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.5 OUTLIER -79.26 -57.0 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.686 0.755 . . . . 0.0 110.446 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.94 -24.02 1.34 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.806 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.6 t -55.07 -57.68 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.057 0.456 . . . . 0.0 111.68 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.437 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 14.5 p90 -69.63 -22.77 63.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.308 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.11 -21.5 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -139.24 80.67 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 733' ' ' PRO . 15.4 m -80.27 104.49 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.439 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.2 ttpt -59.85 -55.03 49.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.591 ' O ' HG22 ' A' ' 731' ' ' THR . 29.1 Cg_endo -91.41 177.62 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.988 2.459 . . . . 0.0 112.656 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.92 -47.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -101.04 -64.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.24 -69.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -147.08 102.69 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -130.29 130.41 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.03 86.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 740' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 744' ' ' ALA . 0.0 OUTLIER -129.32 -46.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.64 -50.79 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 742' ' ' LEU . 0.4 OUTLIER -70.15 -50.19 42.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -56.49 -25.65 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 744' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 740' ' ' ARG . . . -69.21 -41.92 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.053 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.451 HD23 HD22 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -66.94 -36.24 81.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.9 mtp -65.74 -24.63 67.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -29.51 61.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.3 mm -51.21 -32.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.699 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.66 -18.53 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.362 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.751 ' N ' HD12 ' A' ' 749' ' ' LEU . 2.8 m-80 -64.71 -55.13 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.72 40.22 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.51 53.03 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.88 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.773 0.321 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 68.51 -67.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.93 78.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.66 52.88 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -168.84 68.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.83 79.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -118.5 38.89 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.14 104.01 13.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.254 0.549 . . . . 0.0 110.77 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.07 90.33 0.5 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.4 mp -76.96 -24.97 52.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -113.47 -27.36 7.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -22.84 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.218 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 727' ' ' VAL . 6.9 t70 -65.61 -32.73 74.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 49.3 m-85 -67.36 -33.27 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -56.95 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.675 0.75 . . . . 0.0 110.147 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -57.66 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.267 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.1 t -59.45 -27.57 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.205 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.0 m-85 -80.14 -24.04 40.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -99.26 -17.77 17.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.42 44.96 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 5.8 p 57.96 164.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -83.64 -54.74 0.51 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.3 Cg_endo -91.63 135.27 1.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.948 2.432 . . . . 0.0 112.668 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -147.04 -47.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -112.05 100.6 9.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -98.21 36.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 60.64 101.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -133.38 36.8 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.06 87.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -154.83 -51.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.42 -49.89 73.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -63.05 -50.18 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 746' ' ' MET . 27.2 mt-30 -57.75 -22.89 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.64 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.243 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 745' ' ' LEU . 0.8 OUTLIER -77.69 -39.13 45.77 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.483 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 20.4 ptp -62.03 -35.41 78.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.256 0.551 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -29.51 70.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.731 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.7 -9.02 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.651 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.532 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -175.39 39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -157.16 63.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.865 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 60.22 33.77 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.65 41.78 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 61.63 92.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -127.57 -70.36 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.589 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.5 m -118.34 63.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -111.4 37.18 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.71 104.0 13.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.6 m -163.12 55.24 0.19 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.0 OUTLIER -62.8 -18.15 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.26 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.448 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 62.2 m-85 -110.6 -21.5 12.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -22.52 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.297 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.3 t70 -65.25 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 47.9 m-85 -68.67 -31.18 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.155 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -57.06 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-O 121.667 0.746 . . . . 0.0 110.266 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.4 -56.32 10.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.504 -1.226 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.0 t -60.97 -27.05 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.9 m-85 -80.11 -22.3 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -99.3 -23.9 15.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.5 m120 66.92 -70.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 61.0 p -146.47 130.09 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -179.89 -56.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.0 Cg_endo -91.32 109.01 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.927 2.418 . . . . 0.0 112.637 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 -170.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.21 101.73 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 34.96 2.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -120.63 106.9 12.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -76.16 168.09 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.54 79.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 -65.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.56 -40.91 98.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -60.39 -50.19 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.418 ' HA ' ' HG2' ' A' ' 746' ' ' MET . 22.2 tm0? -57.38 -22.89 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.37 62.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.509 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -77.79 -39.03 45.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.37 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 743' ' ' GLN . 21.3 ptp -62.99 -35.06 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.165 0.507 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.75 -29.45 69.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.21 -34.19 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.592 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.79 -9.02 35.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.593 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.536 ' N ' HD12 ' A' ' 749' ' ' LEU . 2.1 m-80 -65.79 -30.56 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -111.12 37.24 2.89 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 45.56 82.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.353 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.54 45.96 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 60.36 100.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -174.59 94.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 81.76 76.46 1.08 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.67 59.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 48.15 37.09 7.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.252 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -104.51 104.27 14.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.713 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.17 89.69 0.64 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.423 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.1 mp -87.14 -19.29 28.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -108.01 -21.91 12.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -25.72 67.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.679 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.6 m-20 -70.16 -32.64 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.984 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -66.88 -29.0 68.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.038 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.37 -57.34 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.681 0.753 . . . . 0.0 110.358 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -55.79 18.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.252 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 723' ' ' ASP . 37.5 t -59.6 -26.43 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.238 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -80.14 -22.08 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.406 ' O ' ' CE1' ' A' ' 736' ' ' HIS . 6.1 m-85 -99.28 -21.56 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -137.09 82.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 727' ' ' VAL . 0.7 OUTLIER -88.48 -82.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.464 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -91.7 -55.36 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.062 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.7 Cg_endo -92.51 -166.97 0.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.962 2.441 . . . . 0.0 112.648 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -134.35 176.73 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 9.6 mttp 60.58 -178.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 736' ' ' HIS . . . . . 0.406 ' CE1' ' O ' ' A' ' 729' ' ' TYR . 62.0 m80 -148.65 36.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -118.81 118.9 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.96 99.49 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.39 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -162.99 -52.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.93 -31.79 71.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -68.8 -50.22 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -26.43 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.62 78.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -67.51 -36.18 80.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.9 mmm -65.51 -24.95 67.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.06 -29.48 61.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm -56.64 -32.3 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.524 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.4 pp -92.06 -7.72 47.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.544 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -61.27 -53.21 59.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.59 39.93 20.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.79 82.54 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.361 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.895 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.828 0.347 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 68.64 -67.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.38 86.06 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -159.1 39.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -89.6 -29.15 17.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.3 39.72 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -117.35 39.43 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -98.57 103.83 15.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 110.767 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.54 89.7 0.61 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.1 mp -83.78 -21.75 32.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.264 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -109.38 -23.22 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -24.45 65.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.6 t0 -70.27 -32.67 70.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -66.22 -25.5 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.59 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.32 -56.97 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.633 0.73 . . . . 0.0 110.381 179.809 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 726' ' ' ASP . . . . . 0.4 ' HA ' ' HB2' ' A' ' 729' ' ' TYR . 11.2 t70 -49.1 -24.08 1.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.893 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 723' ' ' ASP . 22.0 t -55.09 -57.68 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.728 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 10.5 p90 -70.76 -22.11 62.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.39 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.487 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.8 m-85 -59.52 -21.58 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.64 45.21 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 60.6 m -101.31 -23.46 14.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.1 OUTLIER 178.4 -56.05 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.9 Cg_endo -91.57 141.64 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.892 2.395 . . . . 0.0 112.635 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -110.27 -31.13 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -94.46 46.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 61.17 88.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 60.04 -177.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -157.79 129.23 6.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -27.63 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 64.89 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.19 -50.87 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -46.3 41.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.777 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -31.55 66.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 748' ' ' ILE . 4.6 tp -65.65 -51.12 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.0 -24.24 57.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.08 -29.67 61.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 745' ' ' LEU . 13.8 mt -70.25 -39.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.72 -7.91 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.564 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.522 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.4 OUTLIER -64.26 -30.73 71.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.81 0.338 . . . . 0.0 110.926 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -175.07 39.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -157.09 68.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.917 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.765 0.317 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 712' ' ' LYS . . . . . 0.523 ' C ' HD22 ' A' ' 713' ' ' LEU . 0.5 OUTLIER -134.07 -49.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 712' ' ' LYS . 4.4 mm? -122.0 39.73 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -177.89 95.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -127.3 -82.83 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 35.9 t 57.33 78.31 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.88 36.37 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.28 103.92 10.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.47 83.69 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.5 OUTLIER -64.93 -29.24 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -74.97 -24.39 58.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.5 m -74.65 -23.69 58.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 727' ' ' VAL . 6.3 t70 -65.96 -32.8 74.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 92.2 m-85 -68.12 -33.59 74.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -56.98 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 110.223 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -50.06 -59.06 4.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.336 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.6 t -58.25 -26.51 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.224 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -80.09 -22.6 42.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.019 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.438 ' CD2' ' HG2' ' A' ' 733' ' ' PRO . 3.3 m-85 -99.36 -27.19 13.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 54.84 24.08 5.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.9 m 58.7 108.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.472 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.1 ttmt -178.71 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.3 Cg_endo -91.05 154.11 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.81 2.34 . . . . 0.0 112.701 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -59.83 -177.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -147.01 109.14 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -61.72 -33.76 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.17 132.97 46.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 154.73 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -173.75 36.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -126.69 -47.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -36.56 77.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.5 mm? -68.09 -49.13 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.8 -25.19 18.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.45 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.05 -34.09 76.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 41.1 mmm -68.01 -25.29 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.15 -29.55 61.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm -54.43 -32.19 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.635 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.5 pp -92.82 -13.28 29.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.687 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.641 ' N ' HD12 ' A' ' 749' ' ' LEU . 3.8 m-80 -66.39 -47.98 71.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.722 0.296 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -159.36 44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -157.51 39.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.971 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -92.71 -18.68 22.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.219 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -56.31 -22.95 33.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 111.258 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.882 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.7 m-20 -70.1 -32.72 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -65.13 -26.28 68.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.16 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.597 0.713 . . . . 0.0 110.26 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.53 -38.78 9.83 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.364 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.6 t -62.6 -26.72 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.249 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.0 -22.23 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.23 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 62.4 tp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.749 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -66.37 -49.39 67.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.24 -22.86 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.225 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -73.89 -31.72 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.207 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.1 pp -74.3 -35.01 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.415 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 1.5 ppp? -64.73 -33.06 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 746' ' ' MET . 15.6 m-20 -69.79 -29.48 66.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.508 -179.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.855 0.359 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . 0.449 ' O ' HG23 ' A' ' 725' ' ' VAL . 7.9 m-85 -82.5 -22.49 35.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.9 t -66.05 -22.56 66.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.691 ' O ' HG23 ' A' ' 727' ' ' VAL . 4.3 t0 -68.28 -32.58 72.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.31 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 24.0 m-85 -77.74 -33.29 52.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.25 -56.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 179.711 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . 0.423 ' O ' ' CE2' ' A' ' 729' ' ' TYR . 7.7 t70 -44.92 -36.34 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.539 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 723' ' ' ASP . 34.4 t -83.18 -26.32 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.49 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 1.4 m-85 -60.9 -24.61 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 726' ' ' ASP . 2.6 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.206 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.868 0.366 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.535 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -72.24 -50.2 29.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.86 -24.76 24.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.41 82.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.4 -34.16 77.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -24.88 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.015 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.11 -29.73 61.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 745' ' ' LEU . 20.1 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.522 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.687 0.28 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.29 -21.45 10.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -22.41 60.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.152 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.836 ' O ' HG23 ' A' ' 727' ' ' VAL . 8.0 t0 -64.98 -32.66 74.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -59.12 -31.64 69.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 725' ' ' VAL . 0.6 OUTLIER -79.34 -57.04 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 110.118 179.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -47.55 -48.05 27.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.7 t -61.02 -26.68 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.12 -22.14 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 741' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.776 0.322 . . . . 0.0 111.263 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.719 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -77.38 -50.27 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.89 -32.81 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.79 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.035 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.719 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -62.77 -36.87 84.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.676 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.52 -25.47 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.9 mm . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.736 -179.472 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.889 0.376 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.98 -20.02 31.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 93.1 p -60.83 -31.3 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.856 ' O ' HG23 ' A' ' 727' ' ' VAL . 24.6 t70 -70.29 -32.73 70.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD2' ' A' ' 728' ' ' PHE . 45.8 m-85 -68.83 -28.07 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 CA-C-O 121.631 0.729 . . . . 0.0 110.356 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -45.24 -41.75 8.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.454 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 723' ' ' ASP . 38.4 t -65.18 -30.07 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.409 . . . . 0.0 111.212 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 724' ' ' TYR . 11.8 m-85 -80.08 -22.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.569 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -68.97 -49.97 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -53.68 -25.43 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.05 83.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -63.44 -34.0 76.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.764 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mtt -67.64 -24.31 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.987 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.13 -29.67 61.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.673 -179.634 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.988 0.423 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -83.48 -18.36 38.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.5 m -57.19 -22.66 42.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.241 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.89 ' O ' HG23 ' A' ' 727' ' ' VAL . 7.8 t0 -69.3 -32.73 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.03 -26.83 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.408 HG12 ' HE1' ' A' ' 729' ' ' TYR . 0.6 OUTLIER -79.26 -57.21 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.692 0.758 . . . . 0.0 110.236 179.723 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.43 -41.32 13.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.325 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 723' ' ' ASP . 32.8 t -63.59 -27.0 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -80.12 -22.12 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . 0.408 ' HE1' HG12 ' A' ' 725' ' ' VAL . 28.8 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.617 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -60.21 -43.47 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.96 -27.07 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.13 89.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.0 OUTLIER -62.89 -32.76 74.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.406 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 15.4 mmm -67.87 -25.42 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.46 -29.51 62.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 32.6 mm . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.372 -179.751 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 725' ' ' VAL . 76.4 m-85 -111.19 -23.38 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.324 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -27.34 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 727' ' ' VAL . 20.2 t70 -70.07 -32.78 71.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 47.7 m-85 -72.05 -31.95 66.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.33 -57.08 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-O 121.625 0.726 . . . . 0.0 110.212 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -55.11 10.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 723' ' ' ASP . 29.0 t -62.85 -30.08 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 111.186 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.3 m-85 -80.23 -23.18 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.275 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.912 0.387 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 745' ' ' LEU . 0.2 OUTLIER -60.08 -50.22 74.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 746' ' ' MET . 6.1 mt-30 -57.58 -22.85 47.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.33 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.158 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.766 ' HA ' HD12 ' A' ' 748' ' ' ILE . 0.8 OUTLIER -77.73 -38.86 46.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.403 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 18.5 ptm -62.61 -34.85 77.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 110.799 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -29.58 69.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 745' ' ' LEU . 13.7 mt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.18 -19.36 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 24.3 t -60.26 -24.07 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.9 t70 -70.17 -32.67 70.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -65.51 -26.22 67.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -57.11 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 121.7 0.762 . . . . 0.0 110.339 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.04 -40.49 14.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.388 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 723' ' ' ASP . 36.5 t -64.4 -26.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.242 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.08 -22.25 42.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.194 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -75.27 -32.49 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -70.8 -30.52 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.624 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.66 67.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.638 ' HA ' HD12 ' A' ' 748' ' ' ILE . 0.7 OUTLIER -73.58 -31.19 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.56 -26.49 65.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -74.09 -29.63 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 745' ' ' LEU . 25.0 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.541 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.795 0.331 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -111.96 -23.85 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -22.52 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.706 ' O ' HG23 ' A' ' 727' ' ' VAL . 10.3 m-20 -62.85 -32.65 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 89.0 m-85 -63.9 -30.6 71.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 725' ' ' VAL . 0.6 OUTLIER -79.26 -57.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.698 0.761 . . . . 0.0 110.238 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.86 -57.13 10.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.7 t -58.36 -26.39 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -79.99 -22.2 42.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 741' ' ' LEU . 12.6 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.4 mm? -68.02 -50.15 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -54.1 -25.17 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.33 83.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.29 -34.2 77.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 55.7 mtt -67.99 -25.06 65.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -29.65 61.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 -179.657 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.924 0.392 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . 0.435 ' O ' HG23 ' A' ' 725' ' ' VAL . 4.9 m-85 -83.72 -22.94 31.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.2 t -65.55 -22.6 66.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.8 t0 -66.76 -32.64 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 111.191 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -78.49 -35.19 46.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.066 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.27 -56.47 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-O 121.728 0.775 . . . . 0.0 110.157 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -47.86 -58.04 4.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.408 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 723' ' ' ASP . 41.4 t -61.11 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 111.259 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.06 -24.13 40.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.072 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.261 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.69 0.281 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.709 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.2 mm? -76.59 -50.2 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.41 -26.09 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.24 -39.91 82.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.0 OUTLIER -64.73 -32.9 74.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.412 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 19.2 mtp -68.08 -24.66 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.19 -29.68 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.481 -179.61 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 725' ' ' VAL . 13.5 m-85 -120.56 -15.62 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.595 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -22.42 65.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.829 ' O ' HG23 ' A' ' 727' ' ' VAL . 27.2 m-20 -68.51 -32.67 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 725' ' ' VAL . 0.5 OUTLIER -79.28 -54.83 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.49 -43.59 5.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.738 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 723' ' ' ASP . 48.1 t -59.25 -28.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.277 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.17 -22.21 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.053 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.862 0.363 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.686 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -68.58 -50.18 53.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -56.95 -24.38 52.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.87 79.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.686 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.9 OUTLIER -65.49 -36.97 85.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.866 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 16.9 mtm -65.79 -24.28 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.18 -29.54 61.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.639 -179.61 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . 0.432 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 65.8 m-85 -110.63 -19.72 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -22.31 64.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.357 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.6 t0 -65.7 -32.69 74.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 59.4 m-85 -67.35 -26.81 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.3 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 729' ' ' TYR . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 121.721 0.772 . . . . 0.0 110.318 179.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.17 -41.77 13.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.7 t -63.55 -27.06 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.269 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -80.12 -22.06 42.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . 0.506 ' CE2' HG12 ' A' ' 725' ' ' VAL . 35.1 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.4 mm? -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.32 -22.81 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.7 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -72.43 -36.2 68.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.21 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 747' ' ' ASP . 1.3 ptm -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . 0.495 ' N ' ' HG3' ' A' ' 746' ' ' MET . 18.1 t0 -66.85 -29.45 69.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.221 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.548 -179.611 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.658 0.266 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.26 -21.07 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -22.49 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.706 ' O ' HG23 ' A' ' 727' ' ' VAL . 11.4 m-20 -67.59 -32.62 73.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -65.91 -26.56 67.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.24 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.615 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.23 -56.99 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.772 0.796 . . . . 0.0 110.336 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -48.54 -24.11 1.2 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.851 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 723' ' ' ASP . 22.8 t -55.01 -57.78 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.743 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.615 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 10.3 p90 -71.02 -22.15 62.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.439 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . 0.497 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.7 m-85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.773 0.32 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -66.0 -50.16 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -56.78 -25.51 55.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.02 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -67.48 -35.96 80.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.903 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.9 mmm -65.69 -25.02 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.21 -29.54 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 33.5 mm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.724 -179.46 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.8 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.33 -23.13 11.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -22.53 66.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 727' ' ' VAL . 4.5 t70 -70.19 -32.71 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.86 -25.72 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.139 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.511 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.25 -57.07 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.734 0.778 . . . . 0.0 110.344 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -49.11 -23.82 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.889 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.6 t -55.05 -57.79 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.511 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 13.8 p90 -70.3 -22.22 62.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.365 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 3.2 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -66.73 -50.24 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -26.22 53.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.98 76.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -67.94 -36.54 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.861 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.44 -24.78 67.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.21 -29.51 61.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.565 -179.609 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.757 0.313 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.9 -1.3 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.625 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.4 t -63.81 -22.55 66.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.717 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.1 m-20 -66.86 -32.69 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 67.8 m-85 -64.43 -28.53 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -57.27 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.675 0.75 . . . . 0.0 110.308 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -52.6 -54.57 31.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 723' ' ' ASP . 27.6 t -60.12 -26.86 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.8 m-85 -80.05 -22.23 42.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.383 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.819 0.342 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.8 mm? -73.84 -50.22 21.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -55.31 -24.7 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.62 81.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -64.02 -33.96 76.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.402 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 2.6 mmt -67.51 -25.11 65.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -73.4 -29.47 62.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.9 mm . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.554 -179.788 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.359 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -109.61 -24.3 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -23.09 64.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.0 OUTLIER -70.16 -32.72 70.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.047 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -65.97 -25.74 67.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.437 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.5 OUTLIER -79.26 -57.0 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.686 0.755 . . . . 0.0 110.446 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.94 -24.02 1.34 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.806 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.6 t -55.07 -57.68 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.057 0.456 . . . . 0.0 111.68 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.437 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 14.5 p90 -69.63 -22.77 63.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.308 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.153 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 742' ' ' LEU . 0.4 OUTLIER -70.15 -50.19 42.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -56.49 -25.65 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.92 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.053 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.451 HD23 HD22 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -66.94 -36.24 81.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.9 mtp -65.74 -24.63 67.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -29.51 61.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.699 -179.561 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.878 0.371 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -113.47 -27.36 7.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -22.84 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.218 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 727' ' ' VAL . 6.9 t70 -65.61 -32.73 74.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 49.3 m-85 -67.36 -33.27 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -56.95 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.675 0.75 . . . . 0.0 110.147 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -57.66 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.267 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.1 t -59.45 -27.57 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.205 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.0 m-85 -80.14 -24.04 40.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -63.05 -50.18 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 746' ' ' MET . 27.2 mt-30 -57.75 -22.89 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.64 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.243 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 745' ' ' LEU . 0.8 OUTLIER -77.69 -39.13 45.77 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.483 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 20.4 ptp -62.03 -35.41 78.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.256 0.551 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -29.51 70.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.8 mm . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.731 -179.574 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.726 0.298 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . 0.448 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 62.2 m-85 -110.6 -21.5 12.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -22.52 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.297 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.3 t70 -65.25 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 47.9 m-85 -68.67 -31.18 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.155 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -57.06 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-O 121.667 0.746 . . . . 0.0 110.266 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.4 -56.32 10.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.504 -1.226 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.0 t -60.97 -27.05 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.9 m-85 -80.11 -22.3 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -60.39 -50.19 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.418 ' HA ' ' HG2' ' A' ' 746' ' ' MET . 22.2 tm0? -57.38 -22.89 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.37 62.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.509 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -77.79 -39.03 45.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.37 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 743' ' ' GLN . 21.3 ptp -62.99 -35.06 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.165 0.507 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.75 -29.45 69.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.1 mm . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.592 -179.664 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.686 0.279 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -108.01 -21.91 12.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -25.72 67.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.679 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.6 m-20 -70.16 -32.64 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.984 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -66.88 -29.0 68.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.038 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.37 -57.34 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.681 0.753 . . . . 0.0 110.358 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -55.79 18.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.252 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 723' ' ' ASP . 37.5 t -59.6 -26.43 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.238 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -80.14 -22.08 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -68.8 -50.22 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -26.43 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.62 78.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -67.51 -36.18 80.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.9 mmm -65.51 -24.95 67.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.06 -29.48 61.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.524 -179.692 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -109.38 -23.22 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -24.45 65.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.6 t0 -70.27 -32.67 70.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -66.22 -25.5 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . 0.59 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.32 -56.97 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.633 0.73 . . . . 0.0 110.381 179.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . 0.4 ' HA ' ' HB2' ' A' ' 729' ' ' TYR . 11.2 t70 -49.1 -24.08 1.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.893 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 723' ' ' ASP . 22.0 t -55.09 -57.68 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.728 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 10.5 p90 -70.76 -22.11 62.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.39 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . 0.487 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.8 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -46.3 41.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.777 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -31.55 66.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 748' ' ' ILE . 4.6 tp -65.65 -51.12 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.0 -24.24 57.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.08 -29.67 61.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 745' ' ' LEU . 13.8 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -74.97 -24.39 58.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.5 m -74.65 -23.69 58.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 727' ' ' VAL . 6.3 t70 -65.96 -32.8 74.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 92.2 m-85 -68.12 -33.59 74.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -56.98 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 110.223 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -50.06 -59.06 4.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.336 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 727' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.6 t -58.25 -26.51 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.224 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -80.09 -22.6 42.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.019 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.5 mm? -68.09 -49.13 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.8 -25.19 18.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.45 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.05 -34.09 76.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 41.1 mmm -68.01 -25.29 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.15 -29.55 61.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.635 -179.62 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.87 0.367 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 59.87 30.44 19.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 713' ' ' LEU . 0.4 OUTLIER -176.53 52.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.55 95.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.47 2.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.534 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.89 52.41 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -110.8 36.98 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.69 103.86 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.767 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 60.2 p 45.55 82.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.494 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.444 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.5 OUTLIER -81.68 -22.86 37.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -92.71 -18.68 22.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.219 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -56.31 -22.95 33.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 111.258 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.882 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.7 m-20 -70.1 -32.72 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -65.13 -26.28 68.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.26 -57.16 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.597 0.713 . . . . 0.0 110.26 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.53 -38.78 9.83 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.364 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.6 t -62.6 -26.72 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.249 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.0 -22.23 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -77.78 -16.97 57.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.4 m120 62.62 40.62 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 43.8 p -126.39 134.38 51.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.8 ttmt -179.67 -56.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.2 Cg_endo -91.29 86.84 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.866 2.378 . . . . 0.0 112.688 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -101.26 -31.45 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.26 -49.84 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -157.68 -73.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 68.74 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -118.38 102.87 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -61.39 85.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.57 -44.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.5 -45.07 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.749 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -66.37 -49.39 67.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.24 -22.86 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.225 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -73.89 -31.72 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.207 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.1 pp -74.3 -35.01 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.415 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 1.5 ppp? -64.73 -33.06 75.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 746' ' ' MET . 15.6 m-20 -69.79 -29.48 66.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.2 mm -56.87 -32.77 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.508 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.5 pp -94.43 -7.64 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.552 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.52 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -61.16 -35.5 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -112.28 37.69 2.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -156.49 81.69 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.875 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? 68.33 -69.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.62 63.84 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.31 92.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 154.3 43.9 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.39 50.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 36.5 2.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.88 104.22 13.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.729 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.4 m -162.44 89.6 0.69 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.8 OUTLIER -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.019 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.449 ' O ' HG23 ' A' ' 725' ' ' VAL . 7.9 m-85 -82.5 -22.49 35.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.9 t -66.05 -22.56 66.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.691 ' O ' HG23 ' A' ' 727' ' ' VAL . 4.3 t0 -68.28 -32.58 72.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.31 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 24.0 m-85 -77.74 -33.29 52.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.25 -56.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.729 0.776 . . . . 0.0 110.282 179.711 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . 0.423 ' O ' ' CE2' ' A' ' 729' ' ' TYR . 7.7 t70 -44.92 -36.34 3.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.539 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 723' ' ' ASP . 34.4 t -83.18 -26.32 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.49 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 1.4 m-85 -60.9 -24.61 66.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 726' ' ' ASP . 2.6 p90 -99.48 -21.35 15.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.206 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.55 36.74 1.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.84 57.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.473 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.0 OUTLIER -179.82 -56.52 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.1 Cg_endo -91.21 98.62 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.879 2.386 . . . . 0.0 112.678 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -136.25 117.66 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -142.16 130.97 22.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.9 5.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 60.74 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -116.41 44.4 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.65 88.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -68.3 -34.74 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.44 -50.98 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.535 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -72.24 -50.2 29.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -54.86 -24.76 24.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.41 82.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.4 -34.16 77.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.777 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -24.88 65.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.015 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.11 -29.73 61.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 745' ' ' LEU . 20.1 mt -72.43 -37.78 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.522 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.72 -7.17 41.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.616 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.512 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -60.36 -30.5 69.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.765 0.317 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -159.05 58.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.32 53.05 2.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.853 0.359 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.02 76.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.33 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 61.22 84.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -113.61 -30.01 2.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.57 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.17 68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -118.71 38.58 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -108.11 104.28 13.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 0.0 110.7 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.2 m -161.95 89.41 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.8 OUTLIER -87.6 -18.8 28.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.191 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.29 -21.45 10.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -22.41 60.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.152 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.836 ' O ' HG23 ' A' ' 727' ' ' VAL . 8.0 t0 -64.98 -32.66 74.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -59.12 -31.64 69.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 725' ' ' VAL . 0.6 OUTLIER -79.34 -57.04 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 110.118 179.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -47.55 -48.05 27.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.7 t -61.02 -26.68 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.12 -22.14 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -76.35 -18.89 58.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 62.19 45.15 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 60.9 m -124.32 132.08 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER 179.62 -56.12 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.6 Cg_endo -91.62 164.36 3.46 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.925 2.417 . . . . 0.0 112.701 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 60.6 34.36 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -70.0 137.58 51.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -98.61 -177.2 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -91.87 -172.59 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.1 143.36 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -176.48 -53.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.51 -27.81 69.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 741' ' ' LEU . 0.2 OUTLIER -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.263 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.719 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -77.38 -50.27 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.89 -32.81 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.43 -35.79 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.035 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.719 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -62.77 -36.87 84.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.676 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.0 mtt -66.52 -25.47 66.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.25 -32.76 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.736 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.6 -19.79 22.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.776 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -66.18 -34.58 78.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 61.32 39.81 15.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.58 53.17 2.72 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.963 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.788 0.327 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -86.57 -35.64 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 713' ' ' LEU . 4.5 mm? -115.7 39.89 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.08 81.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 158.89 -69.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 28.9 t 59.7 88.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -142.11 39.09 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -104.62 103.79 13.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.221 0.534 . . . . 0.0 110.736 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.59 83.03 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.304 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.3 OUTLIER -71.43 -23.99 61.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.02 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -84.98 -20.02 31.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 93.1 p -60.83 -31.3 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.856 ' O ' HG23 ' A' ' 727' ' ' VAL . 24.6 t70 -70.29 -32.73 70.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD2' ' A' ' 728' ' ' PHE . 45.8 m-85 -68.83 -28.07 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 CA-C-O 121.631 0.729 . . . . 0.0 110.356 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -45.24 -41.75 8.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.454 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 723' ' ' ASP . 38.4 t -65.18 -30.07 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.409 . . . . 0.0 111.212 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 724' ' ' TYR . 11.8 m-85 -80.08 -22.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.16 -24.0 15.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 57.25 33.71 23.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 17.2 p -59.1 122.47 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.442 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -87.51 -54.4 0.37 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.442 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.2 Cg_endo -91.76 -167.26 0.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.006 2.47 . . . . 0.0 112.683 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -148.19 -51.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.83 144.33 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -86.08 100.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -129.27 30.52 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 59.43 169.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -176.58 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 68.22 -68.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.0 tp -63.86 -47.47 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.569 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -68.97 -49.97 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -53.68 -25.43 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.05 83.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -63.44 -34.0 76.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.764 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mtt -67.64 -24.31 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.987 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.13 -29.67 61.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 21.0 mt -76.36 -34.81 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.673 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.501 HD12 ' C ' ' A' ' 749' ' ' LEU . 2.6 pp -94.76 -6.98 41.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.606 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.498 ' N ' HD12 ' A' ' 749' ' ' LEU . 1.0 OUTLIER -60.83 -45.55 94.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.799 0.333 . . . . 0.0 110.814 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -156.92 39.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 45.44 82.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.357 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.85 0.357 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -79.39 95.08 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.35 39.8 18.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.05 95.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.31 32.95 5.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 3.4 p 50.07 62.69 2.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 111.196 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.79 36.47 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -113.71 104.33 12.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.686 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.3 m -162.83 89.4 0.65 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.3 OUTLIER -85.75 -26.13 26.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -83.48 -18.36 38.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.5 m -57.19 -22.66 42.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.241 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.89 ' O ' HG23 ' A' ' 727' ' ' VAL . 7.8 t0 -69.3 -32.73 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.118 0.485 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.03 -26.83 68.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.408 HG12 ' HE1' ' A' ' 729' ' ' TYR . 0.6 OUTLIER -79.26 -57.21 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.692 0.758 . . . . 0.0 110.236 179.723 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.43 -41.32 13.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.325 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 723' ' ' ASP . 32.8 t -63.59 -27.0 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -80.12 -22.12 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.408 ' HE1' HG12 ' A' ' 725' ' ' VAL . 28.8 m-85 -77.76 -21.4 51.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.55 80.85 7.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.8 p -132.04 40.53 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.503 ' HB2' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -78.94 -50.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 732' ' ' LYS . 23.7 Cg_endo -93.81 -175.25 0.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.994 2.463 . . . . 0.0 112.696 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -134.89 -48.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.51 111.27 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.2 31.23 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -110.83 99.87 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -89.93 -31.72 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -176.51 37.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -98.78 -47.75 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.6 tp -82.61 -36.72 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.617 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.4 mm? -60.21 -43.47 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.96 -27.07 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.13 89.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.0 OUTLIER -62.89 -32.76 74.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.406 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 15.4 mmm -67.87 -25.42 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.46 -29.51 62.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 32.6 mm -57.07 -32.3 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.372 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.45 -8.65 37.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.567 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.542 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -61.95 -31.27 71.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -119.39 41.1 3.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.14 52.94 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 14.2 p30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.85 0.357 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -36.1 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.95 39.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 60.84 92.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 176.83 -65.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.584 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.09 77.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -149.46 38.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.52 103.91 13.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.24 0.543 . . . . 0.0 110.738 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.56 78.29 0.35 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.485 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.2 mp -75.46 -21.27 58.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 725' ' ' VAL . 76.4 m-85 -111.19 -23.38 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.324 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -27.34 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 727' ' ' VAL . 20.2 t70 -70.07 -32.78 71.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 47.7 m-85 -72.05 -31.95 66.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.33 -57.08 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-O 121.625 0.726 . . . . 0.0 110.212 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -55.11 10.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 723' ' ' ASP . 29.0 t -62.85 -30.08 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 111.186 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.3 m-85 -80.23 -23.18 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -99.32 -21.28 16.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.275 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.38 -65.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.427 ' HA ' ' CD2' ' A' ' 734' ' ' TYR . 0.2 OUTLIER 62.71 29.24 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.7 ttmt -93.35 -55.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.3 Cg_endo -92.53 58.33 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.927 2.418 . . . . 0.0 112.686 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' A' ' 731' ' ' THR . 0.3 OUTLIER -101.93 162.87 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.8 tttt 60.69 35.96 19.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -74.71 -65.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -67.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 62.63 147.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.26 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -35.04 74.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.1 tp -72.68 -31.95 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 745' ' ' LEU . 0.2 OUTLIER -60.08 -50.22 74.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 746' ' ' MET . 6.1 mt-30 -57.58 -22.85 47.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.23 -32.33 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.158 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.766 ' HA ' HD12 ' A' ' 748' ' ' ILE . 0.8 OUTLIER -77.73 -38.86 46.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.403 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 18.5 ptm -62.61 -34.85 77.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 110.799 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -29.58 69.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 745' ' ' LEU . 13.7 mt -76.42 -36.41 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.658 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.501 HD12 ' C ' ' A' ' 749' ' ' LEU . 2.7 pp -94.83 -6.67 42.29 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.598 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.486 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -60.47 -52.82 63.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 58.78 39.51 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.6 82.29 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.346 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.943 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.872 0.368 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.84 34.9 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.7 41.02 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 61.32 40.14 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -110.82 -35.05 2.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.416 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.5 m -149.46 82.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -110.33 36.64 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.17 104.04 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.761 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' A' ' 722' ' ' SER . 0.1 OUTLIER 46.24 83.55 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.294 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.3 OUTLIER -72.28 -21.04 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.091 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.18 -19.36 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . 0.427 ' CB ' ' HB3' ' A' ' 719' ' ' SER . 24.3 t -60.26 -24.07 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.9 t70 -70.17 -32.67 70.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -65.51 -26.22 67.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -57.11 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 121.7 0.762 . . . . 0.0 110.339 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.04 -40.49 14.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.388 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 723' ' ' ASP . 36.5 t -64.4 -26.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.242 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -80.08 -22.25 42.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -92.72 -21.29 20.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.97 -40.11 20.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.5 119.89 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.5 OUTLIER -85.16 -54.97 0.43 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.4 Cg_endo -91.56 128.79 1.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.975 2.45 . . . . 0.0 112.653 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -149.47 32.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.94 -57.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 60.81 157.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -94.69 -177.63 4.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -60.46 117.73 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.16 78.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -70.43 -31.75 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.19 -34.14 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -75.27 -32.49 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -70.8 -30.52 67.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.624 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.66 67.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.638 ' HA ' HD12 ' A' ' 748' ' ' ILE . 0.7 OUTLIER -73.58 -31.19 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.56 -26.49 65.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -74.09 -29.63 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 745' ' ' LEU . 25.0 mt -65.92 -38.96 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.541 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.71 -8.78 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.646 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.526 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -65.93 -15.15 62.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.621 0.248 . . . . 0.0 111.322 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.87 62.09 0.47 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.984 0.421 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.62 52.73 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.906 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -101.0 93.99 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.81 52.68 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 60.85 80.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -125.93 58.95 0.67 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.2 m -97.49 39.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 45.69 35.49 2.2 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -109.9 104.22 13.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.721 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -164.28 90.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.7 mp -82.27 -23.21 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -111.96 -23.85 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -22.52 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.706 ' O ' HG23 ' A' ' 727' ' ' VAL . 10.3 m-20 -62.85 -32.65 73.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 89.0 m-85 -63.9 -30.6 71.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 725' ' ' VAL . 0.6 OUTLIER -79.26 -57.28 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.698 0.761 . . . . 0.0 110.238 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.86 -57.13 10.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.482 -1.236 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.7 t -58.36 -26.39 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -79.99 -22.2 42.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -86.49 -21.05 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 60.55 35.91 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 26.7 m -78.38 80.29 4.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -87.57 -54.86 0.35 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.446 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.0 Cg_endo -91.78 -172.2 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.003 2.468 . . . . 0.0 112.698 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -85.03 -74.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -176.05 117.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -70.23 155.69 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -158.93 83.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -175.65 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.53 72.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -152.09 -59.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 741' ' ' LEU . 12.6 tp -60.22 -49.84 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.4 mm? -68.02 -50.15 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -54.1 -25.17 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.33 83.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.29 -34.2 77.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 55.7 mtt -67.99 -25.06 65.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -29.65 61.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.7 mm -69.95 -38.45 75.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.78 -7.37 40.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.58 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.515 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.6 OUTLIER -60.76 -30.93 70.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.51 38.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -157.58 80.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.878 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.855 0.359 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.64 36.51 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.47 41.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.51 40.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -78.67 -55.42 3.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.89 80.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -140.14 38.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.97 103.97 13.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.721 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 722' ' ' SER . 3.7 m -162.21 89.51 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.8 OUTLIER -57.75 -27.68 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.435 ' O ' HG23 ' A' ' 725' ' ' VAL . 4.9 m-85 -83.72 -22.94 31.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 719' ' ' SER . 16.2 t -65.55 -22.6 66.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.8 t0 -66.76 -32.64 74.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 0.0 111.191 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -78.49 -35.19 46.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.066 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -79.27 -56.47 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-O 121.728 0.775 . . . . 0.0 110.157 179.611 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -47.86 -58.04 4.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.408 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 723' ' ' ASP . 41.4 t -61.11 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 111.259 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.06 -24.13 40.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.072 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -99.32 -20.57 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.261 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.55 -69.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 6.5 p 57.0 105.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.45 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.0 OUTLIER -66.94 -54.97 17.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 27.7 Cg_endo -91.68 -167.35 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.01 2.473 . . . . 0.0 112.681 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.25 -169.83 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -59.88 -39.68 86.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -128.53 150.19 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -67.2 75.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.76 101.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.762 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -177.03 89.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -65.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 tp -51.65 -42.27 61.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.087 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.709 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.2 mm? -76.59 -50.2 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.41 -26.09 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.24 -39.91 82.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.0 OUTLIER -64.73 -32.9 74.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.412 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 19.2 mtp -68.08 -24.66 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.19 -29.68 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 31.2 mm -69.58 -38.03 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.481 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.78 -7.24 41.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.593 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.508 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -63.2 -27.83 69.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.773 0.32 . . . . 0.0 111.091 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -108.78 36.27 2.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.996 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.07 53.41 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.876 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.769 0.318 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -161.09 87.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.22 47.13 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -175.54 79.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -121.32 29.37 5.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.581 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.6 m 59.3 78.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -143.24 38.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.8 103.89 10.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.289 0.566 . . . . 0.0 110.716 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 722' ' ' SER . 2.1 m -87.94 53.45 2.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.056 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.07 -21.51 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 725' ' ' VAL . 13.5 m-85 -120.56 -15.62 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.595 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 719' ' ' SER . 0.1 OUTLIER -67.37 -22.42 65.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.829 ' O ' HG23 ' A' ' 727' ' ' VAL . 27.2 m-20 -68.51 -32.67 72.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 725' ' ' VAL . 0.5 OUTLIER -79.28 -54.83 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.49 -43.59 5.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.738 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 723' ' ' ASP . 48.1 t -59.25 -28.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.277 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.17 -22.21 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.053 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -74.71 -18.18 60.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 64.33 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 23.6 m -112.87 -32.52 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.1 OUTLIER 174.1 -55.9 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.989 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 29.3 Cg_endo -91.5 -166.78 0.19 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.93 2.42 . . . . 0.0 112.667 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.06 100.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -59.25 112.48 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 741' ' ' LEU . 0.3 OUTLIER 61.12 -176.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.78 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.26 33.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -118.81 27.2 9.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.56 37.64 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.468 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -124.54 -54.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 736' ' ' HIS . 18.4 tp -59.73 -50.83 72.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.686 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -68.58 -50.18 53.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -56.95 -24.38 52.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.87 79.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.686 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.9 OUTLIER -65.49 -36.97 85.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.866 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 16.9 mtm -65.79 -24.28 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.18 -29.54 61.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.66 -38.25 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.639 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.71 -9.52 34.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.642 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.536 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.4 OUTLIER -71.42 -32.46 68.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.813 0.339 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 62.01 39.13 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 43.74 39.11 2.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.601 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.916 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 17.7 tttt 60.87 28.72 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 58.75 94.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.993 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -177.59 95.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -155.32 -77.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 97.5 p -141.68 57.04 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -110.33 36.73 2.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -109.07 104.16 13.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.669 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.02 89.99 0.58 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.412 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.1 mp -85.76 -21.28 28.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.432 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 65.8 m-85 -110.63 -19.72 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -22.31 64.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.357 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.6 t0 -65.7 -32.69 74.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 59.4 m-85 -67.35 -26.81 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.3 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 729' ' ' TYR . 0.6 OUTLIER -79.25 -57.18 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 121.721 0.772 . . . . 0.0 110.318 179.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.17 -41.77 13.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.7 t -63.55 -27.06 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.269 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -80.12 -22.06 42.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.506 ' CE2' HG12 ' A' ' 725' ' ' VAL . 35.1 m-85 -97.61 -21.19 17.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.7 96.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 43.6 m -160.56 133.97 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.458 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.8 ttmt -82.07 -55.0 0.61 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.2 Cg_endo -91.67 138.71 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.99 2.46 . . . . 0.0 112.646 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -72.93 143.82 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.97 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -142.75 -66.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 158.88 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -147.93 124.96 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.07 80.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.97 -43.94 2.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.23 -50.93 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.4 mm? -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.32 -22.81 32.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.7 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -72.43 -36.2 68.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.21 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 747' ' ' ASP . 1.3 ptm -64.6 -32.87 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.19 0.519 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . 0.495 ' N ' ' HG3' ' A' ' 746' ' ' MET . 18.1 t0 -66.85 -29.45 69.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.221 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 58.9 mt -58.97 -33.03 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.548 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.71 -7.8 39.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.578 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.525 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.793 0.33 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.38 37.47 2.86 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.11 52.82 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.797 0.332 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.04 67.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.67 66.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -177.15 85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 168.55 79.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.545 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.8 t -116.55 66.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.15 37.95 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -117.65 104.03 10.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.517 . . . . 0.0 110.756 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.2 m -162.21 89.36 0.7 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 720' ' ' LEU . 1.1 mp -89.21 -17.85 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.247 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.26 -21.07 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.381 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -22.49 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.706 ' O ' HG23 ' A' ' 727' ' ' VAL . 11.4 m-20 -67.59 -32.62 73.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -65.91 -26.56 67.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.24 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.615 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.23 -56.99 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.772 0.796 . . . . 0.0 110.336 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -48.54 -24.11 1.2 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.851 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 723' ' ' ASP . 22.8 t -55.01 -57.78 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.743 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.615 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 10.3 p90 -71.02 -22.15 62.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.439 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.497 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.7 m-85 -59.27 -21.6 59.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.08 81.45 2.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 12.3 m -101.11 134.35 44.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.47 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER 179.66 -56.22 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.049 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.5 Cg_endo -91.44 138.45 2.19 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.881 2.387 . . . . 0.0 112.709 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -118.09 156.22 29.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -60.04 87.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 31.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.21 84.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.59 -32.53 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . 0.619 ' HG3' HD12 ' A' ' 741' ' ' LEU . 7.0 ptm180 -70.28 -34.36 72.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.619 HD12 ' HG3' ' A' ' 740' ' ' ARG . 11.0 mp -78.98 -40.3 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -66.0 -50.16 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -56.78 -25.51 55.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.02 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -67.48 -35.96 80.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.903 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.9 mmm -65.69 -25.02 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.21 -29.54 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.56 -32.67 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.724 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.61 -17.98 24.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.745 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -65.38 -57.82 7.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.58 38.59 25.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 45.2 39.61 4.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.438 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.873 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -122.64 39.28 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.98 86.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 60.95 87.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.72 31.74 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.58 77.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -138.12 38.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.4 104.07 13.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.277 0.56 . . . . 0.0 110.671 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.16 89.97 0.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.2 mp -84.01 -21.8 31.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.33 -23.13 11.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -22.53 66.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 727' ' ' VAL . 4.5 t70 -70.19 -32.71 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.86 -25.72 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.139 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.511 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.25 -57.07 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.734 0.778 . . . . 0.0 110.344 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -49.11 -23.82 1.39 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.889 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.6 t -55.05 -57.79 6.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.511 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 13.8 p90 -70.3 -22.22 62.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.365 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 3.2 m-85 -59.33 -21.34 59.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -114.59 89.06 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.12 148.61 26.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.476 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.4 ttmt 179.58 -56.39 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 29.5 Cg_endo -91.51 152.39 3.57 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.93 2.42 . . . . 0.0 112.698 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -104.53 115.9 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.807 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.11 130.52 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -63.68 126.13 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.4 ptt-85 -107.98 140.85 40.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -136.82 -171.59 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -176.82 37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -132.26 -51.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 11.1 mp -75.11 -31.63 61.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -66.73 -50.24 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -26.22 53.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.98 76.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -67.94 -36.54 80.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.861 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.7 mtt -65.44 -24.78 67.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.21 -29.51 61.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.7 mm -55.03 -32.48 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.565 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.4 pp -91.69 -11.82 35.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.52 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.608 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.6 OUTLIER -63.15 -54.18 41.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 60.31 39.82 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -157.9 39.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.819 0.342 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.8 tttm 60.6 31.74 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.09 48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 61.08 90.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -173.68 90.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 17.4 m -96.92 40.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -141.14 38.42 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -113.57 104.05 11.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.233 0.54 . . . . 0.0 110.75 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.9 m -163.52 89.85 0.62 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 1.8 mp -89.27 -21.03 23.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.9 -1.3 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.625 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.4 t -63.81 -22.55 66.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.717 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.1 m-20 -66.86 -32.69 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 67.8 m-85 -64.43 -28.53 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -57.27 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 121.675 0.75 . . . . 0.0 110.308 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -52.6 -54.57 31.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.223 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 723' ' ' ASP . 27.6 t -60.12 -26.86 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.217 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.8 m-85 -80.05 -22.23 42.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.06 0.08 54.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.383 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 731' ' ' THR . 0.1 OUTLIER -59.9 -41.2 91.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 730' ' ' ASN . 0.8 OUTLIER -164.87 83.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.46 ' HB2' ' HD3' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -88.62 -52.88 0.36 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 732' ' ' LYS . 27.1 Cg_endo -93.31 85.34 0.17 Allowed 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.943 2.428 . . . . 0.0 112.74 -178.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -153.39 29.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.76 -29.06 8.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 63.35 77.53 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -174.87 5.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.73 -36.64 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.35 -73.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 69.32 -66.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.3 mp -58.59 -50.95 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 745' ' ' LEU . 3.8 mm? -73.84 -50.22 21.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -55.31 -24.7 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.803 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.62 81.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.2 pp -64.02 -33.96 76.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.402 ' N ' ' HG ' ' A' ' 745' ' ' LEU . 2.6 mmt -67.51 -25.11 65.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -73.4 -29.47 62.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.37 -32.29 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.554 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.42 -12.85 27.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.612 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.61 ' N ' HD12 ' A' ' 749' ' ' LEU . 2.8 m-80 -64.41 -28.22 69.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 0.0 111.031 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.97 35.7 2.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.4 82.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.352 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.932 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 19.6 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.834 0.35 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt 60.53 35.83 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 713' ' ' LEU . 1.1 tm? 60.24 85.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.63 52.92 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -76.52 -85.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.8 m -177.27 88.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 45.56 35.9 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -100.26 104.16 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.722 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.88 89.91 0.59 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.439 ' H ' HD12 ' A' ' 720' ' ' LEU . 2.0 mp -83.28 -21.53 33.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -109.61 -24.3 11.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -23.09 64.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.0 OUTLIER -70.16 -32.72 70.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.047 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -65.97 -25.74 67.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.437 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.5 OUTLIER -79.26 -57.0 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 CA-C-O 121.686 0.755 . . . . 0.0 110.446 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.94 -24.02 1.34 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.474 -1.239 . . . . 0.0 111.806 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.6 t -55.07 -57.68 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.057 0.456 . . . . 0.0 111.68 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.437 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 14.5 p90 -69.63 -22.77 63.45 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.308 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -63.11 -21.5 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -139.24 80.67 1.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 733' ' ' PRO . 15.4 m -80.27 104.49 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.439 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 1.2 ttpt -59.85 -55.03 49.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.591 ' O ' HG22 ' A' ' 731' ' ' THR . 29.1 Cg_endo -91.41 177.62 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.988 2.459 . . . . 0.0 112.656 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.92 -47.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -101.04 -64.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.24 -69.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -147.08 102.69 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -130.29 130.41 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.03 86.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 744' ' ' ALA . 0.0 OUTLIER -129.32 -46.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.64 -50.79 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 742' ' ' LEU . 0.4 OUTLIER -70.15 -50.19 42.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -56.49 -25.65 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 740' ' ' ARG . . . -69.21 -41.92 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.053 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.451 HD23 HD22 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -66.94 -36.24 81.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.9 mtp -65.74 -24.63 67.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -29.51 61.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.3 mm -51.21 -32.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.699 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.3 pp -91.66 -18.53 23.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.362 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.751 ' N ' HD12 ' A' ' 749' ' ' LEU . 2.8 m-80 -64.71 -55.13 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.72 40.22 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.51 53.03 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.88 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.773 0.321 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 68.51 -67.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.93 78.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.66 52.88 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.017 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -168.84 68.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.83 79.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -118.5 38.89 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.14 104.01 13.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.254 0.549 . . . . 0.0 110.77 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.07 90.33 0.5 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.488 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.4 mp -76.96 -24.97 52.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -113.47 -27.36 7.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -22.84 62.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.218 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 727' ' ' VAL . 6.9 t70 -65.61 -32.73 74.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 49.3 m-85 -67.36 -33.27 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -56.95 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.675 0.75 . . . . 0.0 110.147 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -57.66 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.267 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.1 t -59.45 -27.57 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.205 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 3.0 m-85 -80.14 -24.04 40.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -99.26 -17.77 17.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.264 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.42 44.96 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 5.8 p 57.96 164.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -83.64 -54.74 0.51 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.3 Cg_endo -91.63 135.27 1.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.948 2.432 . . . . 0.0 112.668 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -147.04 -47.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -112.05 100.6 9.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.21 36.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 60.64 101.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -133.38 36.8 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -60.06 87.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -154.83 -51.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.42 -49.89 73.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -63.05 -50.18 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 746' ' ' MET . 27.2 mt-30 -57.75 -22.89 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.64 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.243 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 745' ' ' LEU . 0.8 OUTLIER -77.69 -39.13 45.77 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.483 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 743' ' ' GLN . 20.4 ptp -62.03 -35.41 78.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.256 0.551 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 -29.51 70.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.731 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.7 pp -94.7 -9.02 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.651 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.532 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -175.39 39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -157.16 63.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.865 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.8 0.333 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 60.22 33.77 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.65 41.78 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 61.63 92.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -127.57 -70.36 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.589 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.5 m -118.34 63.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -111.4 37.18 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.01 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.71 104.0 13.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.6 m -163.12 55.24 0.19 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.0 OUTLIER -62.8 -18.15 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.26 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.448 ' HA ' ' CD2' ' A' ' 724' ' ' TYR . 62.2 m-85 -110.6 -21.5 12.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.345 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -22.52 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.297 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.3 t70 -65.25 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' ' 721' ' ' TYR . 47.9 m-85 -68.67 -31.18 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.155 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -57.06 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-O 121.667 0.746 . . . . 0.0 110.266 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -49.4 -56.32 10.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.504 -1.226 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.0 t -60.97 -27.05 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.9 m-85 -80.11 -22.3 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -99.3 -23.9 15.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.5 m120 66.92 -70.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 61.0 p -146.47 130.09 16.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -179.89 -56.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.0 Cg_endo -91.32 109.01 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.927 2.418 . . . . 0.0 112.637 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 -170.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.21 101.73 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 34.96 2.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -120.63 106.9 12.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -76.16 168.09 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.54 79.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 -65.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.56 -40.91 98.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -60.39 -50.19 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.418 ' HA ' ' HG2' ' A' ' 746' ' ' MET . 22.2 tm0? -57.38 -22.89 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.26 -32.37 62.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.509 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -77.79 -39.03 45.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.37 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 743' ' ' GLN . 21.3 ptp -62.99 -35.06 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.165 0.507 . . . . 0.0 110.782 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.75 -29.45 69.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 34.1 mm -57.21 -34.19 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.592 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.79 -9.02 35.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.593 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.536 ' N ' HD12 ' A' ' 749' ' ' LEU . 2.1 m-80 -65.79 -30.56 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -111.12 37.24 2.89 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 45.56 82.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.353 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.54 45.96 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 60.36 100.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -174.59 94.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 81.76 76.46 1.08 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.67 59.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 48.15 37.09 7.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.252 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -104.51 104.27 14.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.713 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.17 89.69 0.64 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.423 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.1 mp -87.14 -19.29 28.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.244 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -108.01 -21.91 12.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -25.72 67.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.679 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.6 m-20 -70.16 -32.64 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.984 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -66.88 -29.0 68.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.038 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.37 -57.34 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.681 0.753 . . . . 0.0 110.358 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -55.79 18.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.252 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 723' ' ' ASP . 37.5 t -59.6 -26.43 34.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.238 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -80.14 -22.08 42.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.406 ' O ' ' CE1' ' A' ' 736' ' ' HIS . 6.1 m-85 -99.28 -21.56 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -137.09 82.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 727' ' ' VAL . 0.7 OUTLIER -88.48 -82.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.464 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.0 OUTLIER -91.7 -55.36 0.26 Allowed Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.062 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.7 Cg_endo -92.51 -166.97 0.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.962 2.441 . . . . 0.0 112.648 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -134.35 176.73 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 9.6 mttp 60.58 -178.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . 0.406 ' CE1' ' O ' ' A' ' 729' ' ' TYR . 62.0 m80 -148.65 36.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -118.81 118.9 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.96 99.49 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.39 85.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -162.99 -52.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.93 -31.79 71.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 745' ' ' LEU . 0.2 OUTLIER -68.8 -50.22 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -26.43 50.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.62 78.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 742' ' ' LEU . 0.8 OUTLIER -67.51 -36.18 80.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.9 mmm -65.51 -24.95 67.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.06 -29.48 61.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm -56.64 -32.3 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.524 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.4 pp -92.06 -7.72 47.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.544 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.5 OUTLIER -61.27 -53.21 59.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.59 39.93 20.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.79 82.54 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.361 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.895 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.828 0.347 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 8.3 mttm 68.64 -67.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.38 86.06 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -159.1 39.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -89.6 -29.15 17.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.3 39.72 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -117.35 39.43 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -98.57 103.83 15.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 110.767 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.54 89.7 0.61 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 720' ' ' LEU . 1.1 mp -83.78 -21.75 32.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.264 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -109.38 -23.22 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -24.45 65.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.6 t0 -70.27 -32.67 70.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -66.22 -25.5 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.59 HG12 ' CZ ' ' A' ' 728' ' ' PHE . 0.6 OUTLIER -79.32 -56.97 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.633 0.73 . . . . 0.0 110.381 179.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . 0.4 ' HA ' ' HB2' ' A' ' 729' ' ' TYR . 11.2 t70 -49.1 -24.08 1.48 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.893 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 723' ' ' ASP . 22.0 t -55.09 -57.68 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.728 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 725' ' ' VAL . 10.5 p90 -70.76 -22.11 62.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.39 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.487 ' CD1' ' CE1' ' A' ' 728' ' ' PHE . 2.8 m-85 -59.52 -21.58 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -105.64 45.21 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 60.6 m -101.31 -23.46 14.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 0.1 OUTLIER 178.4 -56.05 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 28.9 Cg_endo -91.57 141.64 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.892 2.395 . . . . 0.0 112.635 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -110.27 -31.13 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -94.46 46.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 61.17 88.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 60.04 -177.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -157.79 129.23 6.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -27.63 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 64.89 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.19 -50.87 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -46.3 41.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.777 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -31.55 66.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 748' ' ' ILE . 4.6 tp -65.65 -51.12 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.548 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.0 -24.24 57.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.08 -29.67 61.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 745' ' ' LEU . 13.8 mt -70.25 -39.62 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.492 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.6 pp -94.72 -7.91 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.564 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.522 ' N ' HD12 ' A' ' 749' ' ' LEU . 0.4 OUTLIER -64.26 -30.73 71.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.81 0.338 . . . . 0.0 110.926 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -175.07 39.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -157.09 68.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.917 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.765 0.317 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . 0.523 ' C ' HD22 ' A' ' 713' ' ' LEU . 0.5 OUTLIER -134.07 -49.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 712' ' ' LYS . 4.4 mm? -122.0 39.73 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -177.89 95.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -127.3 -82.83 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 35.9 t 57.33 78.31 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.88 36.37 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.28 103.92 10.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.47 83.69 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 720' ' ' LEU . 0.5 OUTLIER -64.93 -29.24 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -74.97 -24.39 58.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 16.5 m -74.65 -23.69 58.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 727' ' ' VAL . 6.3 t70 -65.96 -32.8 74.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 728' ' ' PHE . 92.2 m-85 -68.12 -33.59 74.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -56.98 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 110.223 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -50.06 -59.06 4.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.336 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 723' ' ' ASP . 39.6 t -58.25 -26.51 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.224 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 724' ' ' TYR . 2.7 m-85 -80.09 -22.6 42.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.019 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.438 ' CD2' ' HG2' ' A' ' 733' ' ' PRO . 3.3 m-85 -99.36 -27.19 13.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 54.84 24.08 5.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.9 m 58.7 108.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.472 ' CB ' ' HD3' ' A' ' 733' ' ' PRO . 2.1 ttmt -178.71 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 732' ' ' LYS . 30.3 Cg_endo -91.05 154.11 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.81 2.34 . . . . 0.0 112.701 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -59.83 -177.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -147.01 109.14 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -61.72 -33.76 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.17 132.97 46.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 154.73 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -173.75 36.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -126.69 -47.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -36.56 77.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 745' ' ' LEU . 4.5 mm? -68.09 -49.13 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.8 -25.19 18.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.45 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 742' ' ' LEU . 1.3 pp -63.05 -34.09 76.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 41.1 mmm -68.01 -25.29 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.15 -29.55 61.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.0 mm -54.43 -32.19 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.635 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 750' ' ' ASN . 2.5 pp -92.82 -13.28 29.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.687 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.641 ' N ' HD12 ' A' ' 749' ' ' LEU . 3.8 m-80 -66.39 -47.98 71.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.722 0.296 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -159.36 44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -157.51 39.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.971 179.909 . . . . . . . . 0 0 . 1 stop_ save_