data_1o53_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 1o53 _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 ' 2' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.0 tt . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.569 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 3.5 m-85 -56.66 -27.99 59.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.083 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -57.69 -37.78 74.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -84.26 -16.21 44.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.441 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.29 -40.72 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.023 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.432 ' O ' ' OG ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -71.27 -25.62 62.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.225 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -79.66 -19.73 48.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.94 -40.98 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -77.61 -20.39 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 7' ' ' LYS . 29.7 m . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.494 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 3' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.622 ' CD1' ' NZ ' ' A' ' 7' ' ' LYS . 4.2 m-85 -48.74 -34.24 11.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.454 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.23 -28.08 17.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -83.93 -38.86 20.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.869 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.2 mp -74.19 -31.12 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.622 ' NZ ' ' CD1' ' A' ' 3' ' ' PHE . 9.2 mptt -69.79 -19.92 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.071 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -77.39 -49.65 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.17 -54.02 51.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.32 -27.97 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.539 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 2.4 tm? . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.57 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 3.9 m-85 -57.81 -29.28 64.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.67 -29.45 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.25 -36.04 30.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 8.3 mp -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.071 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -72.07 -26.01 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.941 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -84.97 -29.06 25.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.43 -41.7 55.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.62 -23.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.488 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.682 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.662 0.268 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.711 ' O ' ' N ' ' A' ' 6' ' ' LEU . 3.1 m-85 -21.46 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.635 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 2' ' ' LEU . 15.1 m-20 -39.85 -36.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -85.12 -21.67 29.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.566 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.711 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.3 tt -84.13 -39.01 19.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.88 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -19.51 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.86 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -79.21 -32.49 44.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.01 -37.77 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.452 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -77.01 -21.22 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.427 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.678 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.712 ' O ' ' N ' ' A' ' 6' ' ' LEU . 3.1 m-85 -20.67 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.782 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -40.35 -38.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.394 . . . . 0.0 110.354 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -82.17 -22.35 36.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.712 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.8 tt -83.45 -43.5 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.863 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -66.29 -23.6 66.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.094 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -80.73 -32.69 35.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.01 -40.12 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -75.23 -21.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.5 tt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.748 0.308 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.577 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 5.0 m-85 -51.23 -34.14 30.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.283 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.57 -26.72 9.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.7 mmtt -85.26 -34.11 22.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.845 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.3 mp -80.15 -34.51 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -71.42 -19.92 62.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.936 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 5' ' ' LYS . 79.2 p -77.67 -49.98 13.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.2 -46.26 79.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.869 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.57 -24.13 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.466 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 2.1 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.721 0.296 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.443 ' N ' HD22 ' A' ' 2' ' ' LEU . 5.1 m-85 -60.16 -27.31 67.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.119 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -62.05 -38.31 88.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.145 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -85.5 -15.16 43.73 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.15 -42.03 13.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.736 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -26.84 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.977 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -81.82 -19.18 41.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.413 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.74 -41.28 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.822 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.19 -21.17 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.769 0.319 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.591 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 3.6 m-85 -51.44 -33.87 32.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 17.3 t70 -50.74 -33.14 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.759 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -78.8 -41.56 30.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.865 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 8.4 mp -68.93 -39.5 79.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -65.13 -11.38 39.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.588 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 3.5 m -80.54 -33.3 36.39 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.82 -43.71 57.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.244 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.98 -31.3 51.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.863 0.363 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.557 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 10.2 m-85 -50.68 -32.07 18.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.116 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -49.56 -27.77 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -85.75 -32.01 22.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.102 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.581 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 6.0 mp -83.28 -31.62 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -22.61 53.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.069 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -78.99 -38.41 36.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.52 -49.69 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.65 -23.91 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.55 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.564 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 5.5 m-85 -54.68 -31.37 57.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.105 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.41 -39.65 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -83.3 -17.51 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.661 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.7 -39.78 15.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.624 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' PHE . 11.3 mptt -70.0 -16.93 63.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.981 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 p -83.42 -48.66 10.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.63 -31.62 71.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.37 -25.7 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.629 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.5 tt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.571 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.4 m-85 -59.56 -23.14 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.229 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.93 -37.52 87.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -84.68 -16.95 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -84.58 -40.57 17.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.028 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.59 -27.93 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -82.95 -19.38 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.37 -41.62 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.787 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.12 -23.45 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.406 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.564 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.3 tt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.847 0.356 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.574 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 8.4 m-85 -49.81 -45.63 50.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.234 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -45.52 -36.45 4.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.211 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.43 -34.72 47.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.703 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.8 tptm -73.15 -12.29 60.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -81.31 -24.91 36.87 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.55 -41.52 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 m -70.05 -30.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.499 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 8.7 tt . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.676 0.274 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.566 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 6.1 m-85 -51.95 -32.31 32.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.946 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.67 -29.01 16.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -83.9 -33.28 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.887 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.9 mp -80.82 -35.2 33.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.89 -11.68 60.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.028 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -85.38 -24.53 27.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -84.63 -33.45 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -76.17 -32.14 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.575 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.3 m-85 -57.61 -35.9 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.291 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.32 -35.48 65.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -6.44 57.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -96.57 -40.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.374 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' OG ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -67.03 -26.96 67.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.567 179.308 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -69.2 -19.01 63.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.074 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -85.92 -37.3 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.58 -17.59 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 7' ' ' LYS . 37.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.7 tt . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.861 0.363 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.577 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.3 m-85 -58.25 -29.26 65.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.051 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.31 -40.41 81.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.826 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -24.63 38.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.38 -40.36 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.737 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' NZ ' ' CD1' ' A' ' 3' ' ' PHE . 11.3 mptt -63.54 -18.28 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -76.83 -40.95 46.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.78 -50.54 66.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.08 -29.42 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 8.3 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.958 0.409 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.564 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.5 m-85 -57.02 -32.8 66.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.54 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -84.26 -25.58 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.791 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -83.7 -34.93 24.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.974 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' PHE . 44.7 mtpt -78.51 -31.75 47.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -74.24 -33.08 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.04 -49.51 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.06 -29.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.586 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.678 0.275 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 7' ' ' LYS . 11.2 m-85 -58.0 -29.9 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.036 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.4 m-20 -56.81 -35.18 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -87.06 -15.02 39.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -90.91 -41.39 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.735 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -70.78 -17.19 62.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.742 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 60.8 m -78.55 -19.95 51.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -84.17 -41.69 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.66 -24.38 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.4 tt . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.644 ' O ' ' N ' ' A' ' 6' ' ' LEU . 4.6 m-85 -51.0 -48.21 61.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.073 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -42.79 -37.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.093 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -21.93 33.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.4 tt -83.5 -43.17 16.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.818 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 4.5 mmmm -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.72 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 t -80.11 -31.7 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.655 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.97 -38.16 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.13 -21.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 7' ' ' LYS . 20.8 m . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.3 tt . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.575 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 6.1 m-85 -51.94 -32.27 32.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.94 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -49.4 -30.05 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -83.21 -32.43 26.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.233 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 6.2 mp -82.42 -32.98 28.79 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 m -82.49 -34.02 28.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.96 -34.77 69.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -85.7 -21.69 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 -179.797 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.703 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.665 0.269 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.703 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 27.0 m-85 -30.57 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.5 t70 -43.83 -24.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.546 -0.461 . . . . 0.0 109.871 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 3' ' ' PHE . 6.8 tmtt? -87.73 -36.73 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.589 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' PHE . 5.4 mp -82.04 -33.43 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.675 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -22.38 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -81.22 -31.03 34.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.82 -49.94 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.211 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.55 -23.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.38 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.576 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.481 ' H2 ' ' H ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.0 tt -154.99 -86.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.569 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 3.5 m-85 -56.66 -27.99 59.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.083 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -57.69 -37.78 74.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -84.26 -16.21 44.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.441 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.29 -40.72 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.023 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' O ' ' OG ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -71.27 -25.62 62.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.225 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -79.66 -19.73 48.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.94 -40.98 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -77.61 -20.39 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 7' ' ' LYS . 29.7 m -71.77 54.36 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.494 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' A' ' 14' ' ' LYS . 26.1 t0 -174.25 -92.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 60.39 -2.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 12' ' ' ASP . 5.7 tptm -172.69 101.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.685 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.255 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 3' ' ' PHE . 0.7 OUTLIER -75.73 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.622 ' CD1' ' NZ ' ' A' ' 7' ' ' LYS . 4.2 m-85 -48.74 -34.24 11.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.454 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.23 -28.08 17.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -83.93 -38.86 20.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.869 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.2 mp -74.19 -31.12 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.622 ' NZ ' ' CD1' ' A' ' 3' ' ' PHE . 9.2 mptt -69.79 -19.92 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.071 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -77.39 -49.65 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.17 -54.02 51.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.32 -27.97 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p -94.52 5.66 51.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.539 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 14' ' ' LYS . 23.7 t70 -99.52 7.38 45.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 8.5 t70 -78.29 34.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 12' ' ' ASP . 29.1 mtmm 37.2 -107.3 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.354 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 2.4 tm? -159.8 -78.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.148 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.57 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 3.9 m-85 -57.81 -29.28 64.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.67 -29.45 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.25 -36.04 30.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 8.3 mp -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.071 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -72.07 -26.01 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.941 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 8.0 t -84.97 -29.06 25.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.43 -41.7 55.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.62 -23.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.488 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 29.7 t -98.65 21.31 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 11' ' ' SER . 72.5 m-20 -153.72 71.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.613 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 14' ' ' LYS . 44.6 t0 -108.25 35.72 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 13' ' ' ASP . 13.2 pttm 31.01 90.52 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.446 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.682 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -137.99 -97.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.662 0.268 . . . . 0.0 110.764 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.711 ' O ' ' N ' ' A' ' 6' ' ' LEU . 3.1 m-85 -21.46 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.635 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 2' ' ' LEU . 15.1 m-20 -39.85 -36.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -85.12 -21.67 29.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.566 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.711 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.3 tt -84.13 -39.01 19.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.88 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -19.51 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.86 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -79.21 -32.49 44.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.01 -37.77 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.452 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 12' ' ' ASP . 3.6 p -77.01 -21.22 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.25 -4.02 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.427 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 10' ' ' VAL . 3.3 m-20 -97.35 -92.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.465 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.5 OUTLIER 41.34 48.23 3.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 13' ' ' ASP . 33.5 ttpt 58.59 148.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.518 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.678 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -137.31 -98.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.712 ' O ' ' N ' ' A' ' 6' ' ' LEU . 3.1 m-85 -20.67 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.782 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -40.35 -38.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.394 . . . . 0.0 110.354 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -82.17 -22.35 36.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.712 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.8 tt -83.45 -43.5 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.863 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -66.29 -23.6 66.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.094 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -80.73 -32.69 35.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.01 -40.12 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -75.23 -21.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t -89.94 31.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -135.43 -21.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -95.39 -103.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -141.85 153.62 44.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.247 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.5 tt -88.86 -88.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.308 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.577 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 5.0 m-85 -51.23 -34.14 30.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.283 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.57 -26.72 9.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.7 mmtt -85.26 -34.11 22.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.845 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.3 mp -80.15 -34.51 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -71.42 -19.92 62.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.936 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 5' ' ' LYS . 79.2 p -77.67 -49.98 13.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.2 -46.26 79.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.869 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.57 -24.13 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t -89.37 48.61 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -172.27 20.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 17.2 p30 -78.87 -19.19 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 3.3 tppt? -164.32 124.64 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.594 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 2.1 tt -164.12 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.443 ' N ' HD22 ' A' ' 2' ' ' LEU . 5.1 m-85 -60.16 -27.31 67.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.119 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -62.05 -38.31 88.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.145 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -85.5 -15.16 43.73 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.15 -42.03 13.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.736 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -26.84 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.977 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -81.82 -19.18 41.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.413 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.74 -41.28 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.822 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 12' ' ' ASP . 8.7 p -76.19 -21.17 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 3.97 0.78 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 10' ' ' VAL . 20.3 p-10 -79.85 -44.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.613 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -78.97 46.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -63.97 129.45 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.486 -179.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -109.48 -90.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.515 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.591 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 3.6 m-85 -51.44 -33.87 32.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 17.3 t70 -50.74 -33.14 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.759 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -78.8 -41.56 30.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.865 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 8.4 mp -68.93 -39.5 79.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -65.13 -11.38 39.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.588 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 3.5 m -80.54 -33.3 36.39 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.82 -43.71 57.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.244 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.98 -31.3 51.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -71.37 -3.07 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 11.8 t70 -92.6 69.81 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' LYS . 28.7 t70 -117.74 -28.33 6.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp 57.88 -78.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.3 ttmm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -172.32 -85.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.557 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 10.2 m-85 -50.68 -32.07 18.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.116 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -49.56 -27.77 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -85.75 -32.01 22.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.102 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.581 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 6.0 mp -83.28 -31.62 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -22.61 53.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.069 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -78.99 -38.41 36.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.52 -49.69 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.65 -23.91 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 t -82.0 17.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -158.57 16.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -85.26 0.6 51.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.95 175.08 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.387 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -82.66 -86.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.564 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 5.5 m-85 -54.68 -31.37 57.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.105 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.41 -39.65 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -83.3 -17.51 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.661 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.7 -39.78 15.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.624 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' PHE . 11.3 mptt -70.0 -16.93 63.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.981 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 p -83.42 -48.66 10.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 46.4 mt -61.63 -31.62 71.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' ASP . 9.6 p -84.37 -25.7 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 p -74.62 17.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.629 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 35.9 p-10 -103.7 -33.5 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.5 m-20 -81.3 -4.25 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -102.99 52.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' NZ ' ' CB ' ' A' ' 15' ' ' LYS . 8.8 mtpm? . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.5 tt -82.42 -84.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.571 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.4 m-85 -59.56 -23.14 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.229 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.93 -37.52 87.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -84.68 -16.95 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -84.58 -40.57 17.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.028 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.59 -27.93 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -82.95 -19.38 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.37 -41.62 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.787 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.12 -23.45 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.406 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -69.86 -2.47 12.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.564 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.87 -55.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 p30 41.14 44.59 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -150.79 100.9 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mttp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.642 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.3 tt -162.2 -87.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.466 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.574 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 8.4 m-85 -49.81 -45.63 50.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.234 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -45.52 -36.45 4.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.211 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.43 -34.72 47.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.703 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.8 tptm -73.15 -12.29 60.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 18.3 t -81.31 -24.91 36.87 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.55 -41.52 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 m -70.05 -30.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 77.8 p -82.94 40.86 0.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.499 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -146.22 -5.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -167.22 87.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.571 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 167.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.598 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 8.7 tt -141.16 -91.45 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.676 0.274 . . . . 0.0 110.324 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.566 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 6.1 m-85 -51.95 -32.31 32.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.946 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.67 -29.01 16.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -83.9 -33.28 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.887 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 7.9 mp -80.82 -35.2 33.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.89 -11.68 60.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.028 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -85.38 -24.53 27.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -84.63 -33.45 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -76.17 -32.14 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -90.53 30.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -161.63 33.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -95.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -154.39 -174.93 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.566 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -90.79 -83.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.488 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.575 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.3 m-85 -57.61 -35.9 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.291 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.32 -35.48 65.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -6.44 57.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -96.57 -40.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.374 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' OG ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -67.03 -26.96 67.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.567 179.308 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -69.2 -19.01 63.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.074 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -85.92 -37.3 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 12' ' ' ASP . 2.8 p -87.58 -17.59 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 7' ' ' LYS . 37.7 m -67.34 4.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 10' ' ' VAL . 23.2 t0 -127.43 -3.2 6.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.6 m-20 50.42 44.48 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.772 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -75.07 -22.63 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.386 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.51 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.7 tt -95.38 -84.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.577 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.3 m-85 -58.25 -29.26 65.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.051 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.31 -40.41 81.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.826 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -24.63 38.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.38 -40.36 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.737 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' NZ ' ' CD1' ' A' ' 3' ' ' PHE . 11.3 mptt -63.54 -18.28 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -76.83 -40.95 46.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.78 -50.54 66.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.08 -29.42 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -88.07 75.94 8.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -170.82 24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.48 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.83 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -146.3 145.51 30.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.574 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 8.3 tt -92.63 -87.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.409 . . . . 0.0 110.495 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.564 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.5 m-85 -57.02 -32.8 66.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.54 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -84.26 -25.58 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.791 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -83.7 -34.93 24.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.974 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' PHE . 44.7 mtpt -78.51 -31.75 47.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 43.7 t -74.24 -33.08 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.04 -49.51 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.404 ' C ' ' H ' ' A' ' 12' ' ' ASP . 7.8 p -70.06 -29.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.577 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 t -81.43 30.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 8' ' ' SER . 36.0 m-20 -157.1 -20.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.73 99.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -76.62 155.5 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 pttm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 2.0 tt -160.35 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.678 0.275 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 7' ' ' LYS . 11.2 m-85 -58.0 -29.9 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.036 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.4 m-20 -56.81 -35.18 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -87.06 -15.02 39.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -90.91 -41.39 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.735 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -70.78 -17.19 62.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.742 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 60.8 m -78.55 -19.95 51.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -84.17 -41.69 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.66 -24.38 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -107.74 56.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -159.16 -26.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -46.63 -22.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp 45.66 25.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.595 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.4 tt -105.37 -86.31 0.47 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.524 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.644 ' O ' ' N ' ' A' ' 6' ' ' LEU . 4.6 m-85 -51.0 -48.21 61.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.073 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -42.79 -37.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.093 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -21.93 33.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.4 tt -83.5 -43.17 16.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.818 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 4.5 mmmm -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.72 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 t -80.11 -31.7 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.655 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.97 -38.16 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 12' ' ' ASP . 6.7 p -80.13 -21.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 7' ' ' LYS . 20.8 m -73.18 45.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 10' ' ' VAL . 29.9 t70 -159.95 -2.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.22 -99.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -178.88 143.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.561 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 9.3 tt -81.79 -88.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.575 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 6.1 m-85 -51.94 -32.27 32.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.94 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -49.4 -30.05 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -83.21 -32.43 26.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.233 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 6.2 mp -82.42 -32.98 28.79 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 56.7 m -82.49 -34.02 28.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.96 -34.77 69.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -85.7 -21.69 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.428 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 48.5 p -105.97 50.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' A' ' 8' ' ' SER . 3.6 m-20 -163.62 35.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.31 27.55 9.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -57.76 117.96 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.703 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -85.42 -87.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.66 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.703 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 27.0 m-85 -30.57 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.5 t70 -43.83 -24.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.546 -0.461 . . . . 0.0 109.871 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 3' ' ' PHE . 6.8 tmtt? -87.73 -36.73 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.589 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' PHE . 5.4 mp -82.04 -33.43 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.675 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -22.38 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.426 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 15.9 m -81.22 -31.03 34.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.82 -49.94 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.211 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 12' ' ' ASP . 8.8 p -64.55 -23.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.38 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 t -73.7 36.15 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 10' ' ' VAL . 4.1 m-20 -156.14 -43.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 47.59 87.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -146.34 -114.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptm . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.497 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.0 tt . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.764 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.5 m-85 -56.66 -27.99 59.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.083 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -57.69 -37.78 74.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -84.26 -16.21 44.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.441 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.29 -40.72 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.023 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -25.62 62.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.225 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -79.66 -19.73 48.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.94 -40.98 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -77.61 -20.39 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.494 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.461 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 4.2 m-85 -48.74 -34.24 11.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.454 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.23 -28.08 17.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -83.93 -38.86 20.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.869 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.2 mp -74.19 -31.12 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -69.79 -19.92 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.071 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -77.39 -49.65 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.17 -54.02 51.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.32 -27.97 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.539 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 3' ' ' PHE . 2.4 tm? . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.845 ' N ' HD13 ' A' ' 2' ' ' LEU . 3.9 m-85 -57.81 -29.28 64.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.67 -29.45 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.25 -36.04 30.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.3 mp -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.071 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -72.07 -26.01 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.941 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -84.97 -29.06 25.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.43 -41.7 55.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.62 -23.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.488 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.662 0.268 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.746 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.1 m-85 -21.46 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.635 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 2' ' ' LEU . 15.1 m-20 -39.85 -36.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -85.12 -21.67 29.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.566 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.711 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.3 tt -84.13 -39.01 19.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.88 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -68.67 -19.51 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.86 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -79.21 -32.49 44.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.01 -37.77 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.452 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -77.01 -21.22 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.427 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.737 HD13 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.737 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.1 m-85 -20.67 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.782 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -40.35 -38.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.394 . . . . 0.0 110.354 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -82.17 -22.35 36.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.712 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.8 tt -83.45 -43.5 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.863 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 3' ' ' PHE . 20.2 mmmt -66.29 -23.6 66.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.094 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -80.73 -32.69 35.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.01 -40.12 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -75.23 -21.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.79 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.5 tt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.748 0.308 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.79 ' N ' HD23 ' A' ' 2' ' ' LEU . 5.0 m-85 -51.23 -34.14 30.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.283 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.57 -26.72 9.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.7 mmtt -85.26 -34.11 22.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.845 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.3 mp -80.15 -34.51 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -71.42 -19.92 62.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.936 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 5' ' ' LYS . 79.2 p -77.67 -49.98 13.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.2 -46.26 79.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.869 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.57 -24.13 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 2' ' ' LEU . 2.1 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.721 0.296 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.417 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 5.1 m-85 -60.16 -27.31 67.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.119 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -62.05 -38.31 88.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.145 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -85.5 -15.16 43.73 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.4 tt -87.15 -42.03 13.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.736 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -26.84 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.977 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -81.82 -19.18 41.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.413 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.897 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.74 -41.28 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.822 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.19 -21.17 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.769 0.319 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.802 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.6 m-85 -51.44 -33.87 32.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 17.3 t70 -50.74 -33.14 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.759 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -78.8 -41.56 30.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.865 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.4 mp -68.93 -39.5 79.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -65.13 -11.38 39.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.588 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 3.5 m -80.54 -33.3 36.39 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.82 -43.71 57.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.244 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.98 -31.3 51.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.863 0.363 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.785 ' N ' HD23 ' A' ' 2' ' ' LEU . 10.2 m-85 -50.68 -32.07 18.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.116 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -49.56 -27.77 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -85.75 -32.01 22.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.102 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.719 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.0 mp -83.28 -31.62 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -22.61 53.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.069 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -78.99 -38.41 36.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.52 -49.69 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.65 -23.91 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.55 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.775 ' N ' HD23 ' A' ' 2' ' ' LEU . 5.5 m-85 -54.68 -31.37 57.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.105 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.41 -39.65 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -83.3 -17.51 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.661 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.7 -39.78 15.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.624 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' PHE . 11.3 mptt -70.0 -16.93 63.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.981 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 p -83.42 -48.66 10.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.63 -31.62 71.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.37 -25.7 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.629 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.5 tt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.781 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.4 m-85 -59.56 -23.14 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.229 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.93 -37.52 87.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -84.68 -16.95 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -84.58 -40.57 17.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.028 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.59 -27.93 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -82.95 -19.38 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.37 -41.62 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.787 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.12 -23.45 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.406 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.564 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.3 tt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.847 0.356 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.782 ' N ' HD23 ' A' ' 2' ' ' LEU . 8.4 m-85 -49.81 -45.63 50.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.234 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -45.52 -36.45 4.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.211 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -78.43 -34.72 47.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.703 179.406 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.8 tptm -73.15 -12.29 60.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -81.31 -24.91 36.87 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.55 -41.52 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 6' ' ' LEU . 2.9 m -70.05 -30.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.499 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 3' ' ' PHE . 8.7 tt . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.676 0.274 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.734 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.1 m-85 -51.95 -32.31 32.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.946 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.67 -29.01 16.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -83.9 -33.28 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.887 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.653 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.9 mp -80.82 -35.2 33.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.89 -11.68 60.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.028 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -85.38 -24.53 27.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -84.63 -33.45 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 6' ' ' LEU . 3.3 m -76.17 -32.14 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.805 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.805 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-85 -57.61 -35.9 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.291 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.32 -35.48 65.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -89.08 -6.44 57.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.215 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -96.57 -40.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.374 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -26.96 67.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.567 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -69.2 -19.01 63.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.074 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -85.92 -37.3 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.58 -17.59 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.7 tt . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.861 0.363 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.804 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-85 -58.25 -29.26 65.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.051 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.31 -40.41 81.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.826 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -24.63 38.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.38 -40.36 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.737 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.54 -18.28 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.141 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -76.83 -40.95 46.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.78 -50.54 66.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.08 -29.42 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 3' ' ' PHE . 8.3 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.958 0.409 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.727 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.5 m-85 -57.02 -32.8 66.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.54 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -84.26 -25.58 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.791 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.936 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -83.7 -34.93 24.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.974 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 3' ' ' PHE . 44.7 mtpt -78.51 -31.75 47.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -74.24 -33.08 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.04 -49.51 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.06 -29.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.586 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.556 ' C ' HD23 ' A' ' 2' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.678 0.275 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' LYS . 11.2 m-85 -58.0 -29.9 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.036 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.81 -35.18 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -87.06 -15.02 39.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -90.91 -41.39 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.735 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -70.78 -17.19 62.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.742 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 m -78.55 -19.95 51.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -84.17 -41.69 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.66 -24.38 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.4 tt . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.797 ' N ' HD23 ' A' ' 2' ' ' LEU . 4.6 m-85 -51.0 -48.21 61.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.073 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -42.79 -37.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.093 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -21.93 33.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.4 tt -83.5 -43.17 16.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.818 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.5 mmmm -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.72 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 t -80.11 -31.7 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.655 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.97 -38.16 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.13 -21.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.3 tt . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.775 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.1 m-85 -51.94 -32.27 32.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.94 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -49.4 -30.05 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -83.21 -32.43 26.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.233 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.2 mp -82.42 -32.98 28.79 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 m -82.49 -34.02 28.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.96 -34.77 69.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -85.7 -21.69 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 -179.797 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.716 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.665 0.269 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.716 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 27.0 m-85 -30.57 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.5 t70 -43.83 -24.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.546 -0.461 . . . . 0.0 109.871 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 3' ' ' PHE . 6.8 tmtt? -87.73 -36.73 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.589 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' PHE . 5.4 mp -82.04 -33.43 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.675 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -76.27 -22.38 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -81.22 -31.03 34.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.82 -49.94 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.211 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.55 -23.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.38 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.576 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.0 tt -154.99 -86.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.764 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.5 m-85 -56.66 -27.99 59.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.083 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -57.69 -37.78 74.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -84.26 -16.21 44.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.441 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.29 -40.72 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.023 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -25.62 62.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.225 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -79.66 -19.73 48.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.94 -40.98 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -77.61 -20.39 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 m -71.77 54.36 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.494 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' LYS . 26.1 t0 -174.25 -92.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 60.39 -2.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 12' ' ' ASP . 5.7 tptm -172.69 101.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.685 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.255 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.461 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.7 OUTLIER -75.73 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 4.2 m-85 -48.74 -34.24 11.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.454 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.23 -28.08 17.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -83.93 -38.86 20.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.869 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.2 mp -74.19 -31.12 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -69.79 -19.92 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.071 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -77.39 -49.65 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.17 -54.02 51.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.32 -27.97 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p -94.52 5.66 51.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.539 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 14' ' ' LYS . 23.7 t70 -99.52 7.38 45.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 13' ' ' ASP . 8.5 t70 -78.29 34.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 12' ' ' ASP . 29.1 mtmm 37.2 -107.3 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HB3' ' HZ3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.354 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 3' ' ' PHE . 2.4 tm? -159.8 -78.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.148 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.845 ' N ' HD13 ' A' ' 2' ' ' LEU . 3.9 m-85 -57.81 -29.28 64.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.67 -29.45 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.25 -36.04 30.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.3 mp -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.071 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -72.07 -26.01 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.941 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 8.0 t -84.97 -29.06 25.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.43 -41.7 55.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.62 -23.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.488 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 29.7 t -98.65 21.31 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 11' ' ' SER . 72.5 m-20 -153.72 71.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.613 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 14' ' ' LYS . 44.6 t0 -108.25 35.72 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 13' ' ' ASP . 13.2 pttm 31.01 90.52 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.446 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -137.99 -97.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.662 0.268 . . . . 0.0 110.764 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.746 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.1 m-85 -21.46 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.635 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 2' ' ' LEU . 15.1 m-20 -39.85 -36.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -85.12 -21.67 29.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.566 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.711 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.3 tt -84.13 -39.01 19.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.88 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -68.67 -19.51 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.86 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -79.21 -32.49 44.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.01 -37.77 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.452 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' H ' ' A' ' 12' ' ' ASP . 3.6 p -77.01 -21.22 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.25 -4.02 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.427 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 10' ' ' VAL . 3.3 m-20 -97.35 -92.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.465 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.5 OUTLIER 41.34 48.23 3.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 13' ' ' ASP . 33.5 ttpt 58.59 148.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.518 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.737 HD13 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -137.31 -98.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.737 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.1 m-85 -20.67 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.782 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -40.35 -38.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.394 . . . . 0.0 110.354 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -82.17 -22.35 36.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.712 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.8 tt -83.45 -43.5 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.863 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 3' ' ' PHE . 20.2 mmmt -66.29 -23.6 66.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.094 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -80.73 -32.69 35.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.01 -40.12 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -75.23 -21.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t -89.94 31.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -135.43 -21.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -95.39 -103.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -141.85 153.62 44.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.247 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.79 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.5 tt -88.86 -88.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.308 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.79 ' N ' HD23 ' A' ' 2' ' ' LEU . 5.0 m-85 -51.23 -34.14 30.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.283 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.57 -26.72 9.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.7 mmtt -85.26 -34.11 22.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.845 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 6' ' ' LEU . 7.3 mp -80.15 -34.51 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -71.42 -19.92 62.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.936 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 5' ' ' LYS . 79.2 p -77.67 -49.98 13.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.2 -46.26 79.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.869 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.57 -24.13 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t -89.37 48.61 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -172.27 20.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 17.2 p30 -78.87 -19.19 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 3.3 tppt? -164.32 124.64 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.594 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 2' ' ' LEU . 2.1 tt -164.12 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.417 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 5.1 m-85 -60.16 -27.31 67.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.119 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -62.05 -38.31 88.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.145 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -85.5 -15.16 43.73 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.4 tt -87.15 -42.03 13.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.736 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -26.84 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.977 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -81.82 -19.18 41.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.413 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.897 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.74 -41.28 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.822 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' C ' ' H ' ' A' ' 12' ' ' ASP . 8.7 p -76.19 -21.17 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 3.97 0.78 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 10' ' ' VAL . 20.3 p-10 -79.85 -44.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.613 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -78.97 46.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -63.97 129.45 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.486 -179.87 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -109.48 -90.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.515 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.802 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.6 m-85 -51.44 -33.87 32.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 17.3 t70 -50.74 -33.14 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.759 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -78.8 -41.56 30.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.865 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 6' ' ' LEU . 8.4 mp -68.93 -39.5 79.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -65.13 -11.38 39.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.588 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 3.5 m -80.54 -33.3 36.39 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.82 -43.71 57.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.244 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.98 -31.3 51.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -71.37 -3.07 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 11.8 t70 -92.6 69.81 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' LYS . 28.7 t70 -117.74 -28.33 6.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp 57.88 -78.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.3 ttmm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -172.32 -85.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.785 ' N ' HD23 ' A' ' 2' ' ' LEU . 10.2 m-85 -50.68 -32.07 18.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.116 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -49.56 -27.77 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -85.75 -32.01 22.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.102 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.719 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.0 mp -83.28 -31.62 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -22.61 53.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.069 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -78.99 -38.41 36.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.52 -49.69 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.65 -23.91 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 t -82.0 17.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -158.57 16.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -85.26 0.6 51.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.95 175.08 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 15' ' ' LYS . 2.3 mptp? . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.387 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -82.66 -86.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.775 ' N ' HD23 ' A' ' 2' ' ' LEU . 5.5 m-85 -54.68 -31.37 57.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.105 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.41 -39.65 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -83.3 -17.51 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.661 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.7 -39.78 15.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.624 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' PHE . 11.3 mptt -70.0 -16.93 63.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.981 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 p -83.42 -48.66 10.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 46.4 mt -61.63 -31.62 71.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' C ' ' H ' ' A' ' 12' ' ' ASP . 9.6 p -84.37 -25.7 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 p -74.62 17.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.629 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 35.9 p-10 -103.7 -33.5 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.5 m-20 -81.3 -4.25 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -102.99 52.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 8.8 mtpm? . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.5 tt -82.42 -84.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.781 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.4 m-85 -59.56 -23.14 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.229 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.93 -37.52 87.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -84.68 -16.95 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -84.58 -40.57 17.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.028 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.59 -27.93 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -82.95 -19.38 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.37 -41.62 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.787 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.12 -23.45 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.406 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -69.86 -2.47 12.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.564 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.87 -55.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 p30 41.14 44.59 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -150.79 100.9 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mttp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.642 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.3 tt -162.2 -87.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.466 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.782 ' N ' HD23 ' A' ' 2' ' ' LEU . 8.4 m-85 -49.81 -45.63 50.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.234 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -45.52 -36.45 4.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.211 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -78.43 -34.72 47.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.703 179.406 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.8 tptm -73.15 -12.29 60.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 18.3 t -81.31 -24.91 36.87 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.55 -41.52 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 6' ' ' LEU . 2.9 m -70.05 -30.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 77.8 p -82.94 40.86 0.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.499 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -146.22 -5.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -167.22 87.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.571 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 167.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.598 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 3' ' ' PHE . 8.7 tt -141.16 -91.45 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.676 0.274 . . . . 0.0 110.324 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.734 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.1 m-85 -51.95 -32.31 32.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.946 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.67 -29.01 16.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -83.9 -33.28 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.887 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.653 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.9 mp -80.82 -35.2 33.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.89 -11.68 60.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.028 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -85.38 -24.53 27.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -84.63 -33.45 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 6' ' ' LEU . 3.3 m -76.17 -32.14 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -90.53 30.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -161.63 33.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -56.85 -95.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 17.0 mttp -154.39 -174.93 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.566 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.805 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -90.79 -83.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.488 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.805 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-85 -57.61 -35.9 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.291 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.32 -35.48 65.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -89.08 -6.44 57.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.215 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -96.57 -40.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.374 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -26.96 67.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.567 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -69.2 -19.01 63.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.074 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -85.92 -37.3 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' C ' ' H ' ' A' ' 12' ' ' ASP . 2.8 p -87.58 -17.59 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -67.34 4.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 10' ' ' VAL . 23.2 t0 -127.43 -3.2 6.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.6 m-20 50.42 44.48 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.772 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -75.07 -22.63 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.386 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.51 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.7 tt -95.38 -84.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.804 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-85 -58.25 -29.26 65.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.051 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.31 -40.41 81.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.826 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -24.63 38.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.38 -40.36 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.737 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.54 -18.28 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.141 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -76.83 -40.95 46.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.78 -50.54 66.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.08 -29.42 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -88.07 75.94 8.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -170.82 24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.48 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.83 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -146.3 145.51 30.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.574 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 3' ' ' PHE . 8.3 tt -92.63 -87.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.409 . . . . 0.0 110.495 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.727 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.5 m-85 -57.02 -32.8 66.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.54 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -84.26 -25.58 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.791 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.936 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -83.7 -34.93 24.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.974 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 3' ' ' PHE . 44.7 mtpt -78.51 -31.75 47.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 43.7 t -74.24 -33.08 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.04 -49.51 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.06 -29.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 t -81.43 30.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 8' ' ' SER . 36.0 m-20 -157.1 -20.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.73 99.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -76.62 155.5 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 pttm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.556 ' C ' HD23 ' A' ' 2' ' ' LEU . 2.0 tt -160.35 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.678 0.275 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' LYS . 11.2 m-85 -58.0 -29.9 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.036 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.81 -35.18 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -87.06 -15.02 39.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -90.91 -41.39 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.735 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -70.78 -17.19 62.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.742 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 m -78.55 -19.95 51.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -84.17 -41.69 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.66 -24.38 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -107.74 56.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -159.16 -26.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -46.63 -22.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp 45.66 25.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.595 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.4 tt -105.37 -86.31 0.47 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.524 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.797 ' N ' HD23 ' A' ' 2' ' ' LEU . 4.6 m-85 -51.0 -48.21 61.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.073 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -42.79 -37.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.093 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -21.93 33.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.4 tt -83.5 -43.17 16.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.818 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.5 mmmm -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.72 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 t -80.11 -31.7 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.655 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.97 -38.16 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.13 -21.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 m -73.18 45.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -159.95 -2.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.22 -99.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -178.88 143.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.561 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.3 tt -81.79 -88.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.775 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.1 m-85 -51.94 -32.27 32.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.94 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -49.4 -30.05 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -83.21 -32.43 26.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.233 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.2 mp -82.42 -32.98 28.79 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 56.7 m -82.49 -34.02 28.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.96 -34.77 69.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -85.7 -21.69 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.428 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 48.5 p -105.97 50.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' A' ' 8' ' ' SER . 3.6 m-20 -163.62 35.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.31 27.55 9.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -57.76 117.96 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.716 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -85.42 -87.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.66 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.716 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 27.0 m-85 -30.57 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.5 t70 -43.83 -24.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.546 -0.461 . . . . 0.0 109.871 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 3' ' ' PHE . 6.8 tmtt? -87.73 -36.73 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.589 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' PHE . 5.4 mp -82.04 -33.43 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.675 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -76.27 -22.38 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.426 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 15.9 m -81.22 -31.03 34.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.82 -49.94 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.211 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 12' ' ' ASP . 8.8 p -64.55 -23.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.38 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 t -73.7 36.15 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 10' ' ' VAL . 4.1 m-20 -156.14 -43.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 47.59 87.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -146.34 -114.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptm . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.497 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.0 tt . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.764 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.5 m-85 -56.66 -27.99 59.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.083 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -57.69 -37.78 74.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -84.26 -16.21 44.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.441 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.29 -40.72 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.023 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -25.62 62.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.225 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -79.66 -19.73 48.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.901 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.94 -40.98 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -77.61 -20.39 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.494 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.461 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 4.2 m-85 -48.74 -34.24 11.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.454 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.23 -28.08 17.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -83.93 -38.86 20.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.869 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 6' ' ' LEU . 7.2 mp -74.19 -31.12 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -69.79 -19.92 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.071 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -77.39 -49.65 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.17 -54.02 51.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.32 -27.97 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.539 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 3' ' ' PHE . 2.4 tm? . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.845 ' N ' HD13 ' A' ' 2' ' ' LEU . 3.9 m-85 -57.81 -29.28 64.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.67 -29.45 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.25 -36.04 30.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 6' ' ' LEU . 8.3 mp -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.071 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -72.07 -26.01 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.941 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -84.97 -29.06 25.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.43 -41.7 55.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.62 -23.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.488 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.662 0.268 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.746 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.1 m-85 -21.46 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.635 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 2' ' ' LEU . 15.1 m-20 -39.85 -36.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -85.12 -21.67 29.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.566 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.711 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.3 tt -84.13 -39.01 19.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.88 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -68.67 -19.51 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.86 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -79.21 -32.49 44.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.01 -37.77 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.452 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -77.01 -21.22 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.427 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.737 HD13 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.737 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.1 m-85 -20.67 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.782 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -40.35 -38.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.394 . . . . 0.0 110.354 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -82.17 -22.35 36.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.712 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.8 tt -83.45 -43.5 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.863 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 3' ' ' PHE . 20.2 mmmt -66.29 -23.6 66.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.094 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -80.73 -32.69 35.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.01 -40.12 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -75.23 -21.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.79 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.5 tt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.748 0.308 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.79 ' N ' HD23 ' A' ' 2' ' ' LEU . 5.0 m-85 -51.23 -34.14 30.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.283 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.57 -26.72 9.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.7 mmtt -85.26 -34.11 22.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.845 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD12 ' N ' ' A' ' 6' ' ' LEU . 7.3 mp -80.15 -34.51 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -71.42 -19.92 62.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.936 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 5' ' ' LYS . 79.2 p -77.67 -49.98 13.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.2 -46.26 79.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.869 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.57 -24.13 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 2' ' ' LEU . 2.1 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.721 0.296 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.417 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 5.1 m-85 -60.16 -27.31 67.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.119 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -62.05 -38.31 88.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.145 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -85.5 -15.16 43.73 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 6' ' ' LEU . 3.4 tt -87.15 -42.03 13.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.736 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -26.84 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.977 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -81.82 -19.18 41.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.413 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.897 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.74 -41.28 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.822 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.19 -21.17 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.769 0.319 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.802 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.6 m-85 -51.44 -33.87 32.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 17.3 t70 -50.74 -33.14 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.759 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -78.8 -41.56 30.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.865 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.621 HD12 ' N ' ' A' ' 6' ' ' LEU . 8.4 mp -68.93 -39.5 79.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -65.13 -11.38 39.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.588 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 3.5 m -80.54 -33.3 36.39 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.82 -43.71 57.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.244 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.98 -31.3 51.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.863 0.363 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.785 ' N ' HD23 ' A' ' 2' ' ' LEU . 10.2 m-85 -50.68 -32.07 18.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.116 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -49.56 -27.77 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -85.75 -32.01 22.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.102 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.0 mp -83.28 -31.62 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -22.61 53.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.069 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -78.99 -38.41 36.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.52 -49.69 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.65 -23.91 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.55 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.775 ' N ' HD23 ' A' ' 2' ' ' LEU . 5.5 m-85 -54.68 -31.37 57.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.105 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.41 -39.65 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -83.3 -17.51 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.661 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.7 -39.78 15.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.624 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' PHE . 11.3 mptt -70.0 -16.93 63.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.981 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 p -83.42 -48.66 10.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.63 -31.62 71.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.37 -25.7 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.629 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.5 tt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.781 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.4 m-85 -59.56 -23.14 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.229 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.93 -37.52 87.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -84.68 -16.95 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -84.58 -40.57 17.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.028 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.59 -27.93 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -82.95 -19.38 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.37 -41.62 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.787 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.12 -23.45 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.406 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.564 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.3 tt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.847 0.356 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.782 ' N ' HD23 ' A' ' 2' ' ' LEU . 8.4 m-85 -49.81 -45.63 50.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.234 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -45.52 -36.45 4.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.211 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -78.43 -34.72 47.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.703 179.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.8 tptm -73.15 -12.29 60.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -81.31 -24.91 36.87 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.55 -41.52 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 6' ' ' LEU . 2.9 m -70.05 -30.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.499 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 3' ' ' PHE . 8.7 tt . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.676 0.274 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.734 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.1 m-85 -51.95 -32.31 32.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.946 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.67 -29.01 16.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -83.9 -33.28 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.887 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.653 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.9 mp -80.82 -35.2 33.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.89 -11.68 60.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.028 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -85.38 -24.53 27.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -84.63 -33.45 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 6' ' ' LEU . 3.3 m -76.17 -32.14 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.805 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.805 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-85 -57.61 -35.9 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.291 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.32 -35.48 65.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -89.08 -6.44 57.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.215 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -96.57 -40.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.374 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -26.96 67.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.567 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -69.2 -19.01 63.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.074 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -85.92 -37.3 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.58 -17.59 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.7 tt . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.861 0.363 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.804 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-85 -58.25 -29.26 65.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.051 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.31 -40.41 81.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.826 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -24.63 38.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.38 -40.36 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.737 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.54 -18.28 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.141 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -76.83 -40.95 46.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.78 -50.54 66.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.08 -29.42 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 3' ' ' PHE . 8.3 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.958 0.409 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.727 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.5 m-85 -57.02 -32.8 66.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.54 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -84.26 -25.58 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.791 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.936 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -83.7 -34.93 24.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.974 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 3' ' ' PHE . 44.7 mtpt -78.51 -31.75 47.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -74.24 -33.08 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.04 -49.51 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.06 -29.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.586 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.556 HD23 ' C ' ' A' ' 2' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.678 0.275 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' LYS . 11.2 m-85 -58.0 -29.9 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.036 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.81 -35.18 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -87.06 -15.02 39.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -90.91 -41.39 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.735 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -70.78 -17.19 62.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.742 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 m -78.55 -19.95 51.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -84.17 -41.69 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.66 -24.38 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.4 tt . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.797 ' N ' HD23 ' A' ' 2' ' ' LEU . 4.6 m-85 -51.0 -48.21 61.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.073 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -42.79 -37.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.093 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -21.93 33.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.4 tt -83.5 -43.17 16.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.818 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.5 mmmm -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.72 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 t -80.11 -31.7 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.655 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.97 -38.16 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.13 -21.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.3 tt . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.775 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.1 m-85 -51.94 -32.27 32.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.94 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -49.4 -30.05 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -83.21 -32.43 26.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.233 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.676 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.2 mp -82.42 -32.98 28.79 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 m -82.49 -34.02 28.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.96 -34.77 69.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -85.7 -21.69 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 -179.797 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.716 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.665 0.269 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.716 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 27.0 m-85 -30.57 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.5 t70 -43.83 -24.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.546 -0.461 . . . . 0.0 109.871 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 3' ' ' PHE . 6.8 tmtt? -87.73 -36.73 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.589 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' PHE . 5.4 mp -82.04 -33.43 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.675 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -76.27 -22.38 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 m -81.22 -31.03 34.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.82 -49.94 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.211 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.55 -23.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.38 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.576 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.0 tt -154.99 -86.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.764 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.5 m-85 -56.66 -27.99 59.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.083 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -57.69 -37.78 74.05 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -84.26 -16.21 44.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.441 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.29 -40.72 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.023 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -25.62 62.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.225 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -79.66 -19.73 48.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.901 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.94 -40.98 15.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -77.61 -20.39 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 m -71.77 54.36 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.494 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' LYS . 26.1 t0 -174.25 -92.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 60.39 -2.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 12' ' ' ASP . 5.7 tptm -172.69 101.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.685 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.255 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.461 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.7 OUTLIER -75.73 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 4.2 m-85 -48.74 -34.24 11.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.454 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.23 -28.08 17.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -83.93 -38.86 20.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.869 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 6' ' ' LEU . 7.2 mp -74.19 -31.12 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.015 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -69.79 -19.92 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.071 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -77.39 -49.65 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.17 -54.02 51.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.32 -27.97 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p -94.52 5.66 51.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.539 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 14' ' ' LYS . 23.7 t70 -99.52 7.38 45.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 8.5 t70 -78.29 34.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 12' ' ' ASP . 29.1 mtmm 37.2 -107.3 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.354 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 3' ' ' PHE . 2.4 tm? -159.8 -78.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.148 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.845 ' N ' HD13 ' A' ' 2' ' ' LEU . 3.9 m-85 -57.81 -29.28 64.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.67 -29.45 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.25 -36.04 30.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 6' ' ' LEU . 8.3 mp -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.071 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -72.07 -26.01 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.941 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 8.0 t -84.97 -29.06 25.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -75.43 -41.7 55.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.62 -23.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.488 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 29.7 t -98.65 21.31 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 11' ' ' SER . 72.5 m-20 -153.72 71.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.613 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 14' ' ' LYS . 44.6 t0 -108.25 35.72 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 13' ' ' ASP . 13.2 pttm 31.01 90.52 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.446 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -137.99 -97.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.662 0.268 . . . . 0.0 110.764 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.746 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.1 m-85 -21.46 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.635 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 2' ' ' LEU . 15.1 m-20 -39.85 -36.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -85.12 -21.67 29.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.566 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.711 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.3 tt -84.13 -39.01 19.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.88 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -68.67 -19.51 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.86 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -79.21 -32.49 44.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.01 -37.77 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.452 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' H ' ' A' ' 12' ' ' ASP . 3.6 p -77.01 -21.22 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -60.25 -4.02 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.427 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 10' ' ' VAL . 3.3 m-20 -97.35 -92.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.465 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.5 OUTLIER 41.34 48.23 3.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 13' ' ' ASP . 33.5 ttpt 58.59 148.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.518 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.737 HD13 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -137.31 -98.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.737 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.1 m-85 -20.67 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.782 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -40.35 -38.3 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.928 0.394 . . . . 0.0 110.354 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -82.17 -22.35 36.1 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.712 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.8 tt -83.45 -43.5 15.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.863 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 3' ' ' PHE . 20.2 mmmt -66.29 -23.6 66.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.094 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -80.73 -32.69 35.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.01 -40.12 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -75.23 -21.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 t -89.94 31.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -135.43 -21.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -95.39 -103.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -141.85 153.62 44.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.247 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.79 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.5 tt -88.86 -88.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.308 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.79 ' N ' HD23 ' A' ' 2' ' ' LEU . 5.0 m-85 -51.23 -34.14 30.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.283 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.57 -26.72 9.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' OG ' ' A' ' 8' ' ' SER . 6.7 mmtt -85.26 -34.11 22.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.845 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD12 ' N ' ' A' ' 6' ' ' LEU . 7.3 mp -80.15 -34.51 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -71.42 -19.92 62.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.936 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 5' ' ' LYS . 79.2 p -77.67 -49.98 13.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.775 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.2 -46.26 79.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.869 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.57 -24.13 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.7 t -89.37 48.61 1.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -172.27 20.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 17.2 p30 -78.87 -19.19 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 3.3 tppt? -164.32 124.64 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.594 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 2' ' ' LEU . 2.1 tt -164.12 -87.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.417 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 5.1 m-85 -60.16 -27.31 67.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.119 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -62.05 -38.31 88.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.145 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -85.5 -15.16 43.73 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 6' ' ' LEU . 3.4 tt -87.15 -42.03 13.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.736 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -26.84 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.977 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -81.82 -19.18 41.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.413 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.897 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.74 -41.28 15.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.822 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' C ' ' H ' ' A' ' 12' ' ' ASP . 8.7 p -76.19 -21.17 15.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.469 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 3.97 0.78 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 10' ' ' VAL . 20.3 p-10 -79.85 -44.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.613 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -78.97 46.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.592 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -63.97 129.45 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.486 -179.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -109.48 -90.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.515 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.802 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.6 m-85 -51.44 -33.87 32.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 17.3 t70 -50.74 -33.14 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.759 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -78.8 -41.56 30.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.865 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.621 HD12 ' N ' ' A' ' 6' ' ' LEU . 8.4 mp -68.93 -39.5 79.56 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -65.13 -11.38 39.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.588 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 3.5 m -80.54 -33.3 36.39 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.82 -43.71 57.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.244 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.98 -31.3 51.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -71.37 -3.07 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 11.8 t70 -92.6 69.81 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' LYS . 28.7 t70 -117.74 -28.33 6.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp 57.88 -78.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.3 ttmm . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -172.32 -85.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.785 ' N ' HD23 ' A' ' 2' ' ' LEU . 10.2 m-85 -50.68 -32.07 18.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.116 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -49.56 -27.77 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -85.75 -32.01 22.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.102 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.0 mp -83.28 -31.62 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -22.61 53.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.069 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -78.99 -38.41 36.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.52 -49.69 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.65 -23.91 33.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 t -82.0 17.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -158.57 16.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -85.26 0.6 51.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.95 175.08 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 15' ' ' LYS . 2.3 mptp? . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.387 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -82.66 -86.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.775 ' N ' HD23 ' A' ' 2' ' ' LEU . 5.5 m-85 -54.68 -31.37 57.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.105 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.41 -39.65 70.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -83.3 -17.51 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.661 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.7 -39.78 15.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.624 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' PHE . 11.3 mptt -70.0 -16.93 63.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.981 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 p -83.42 -48.66 10.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 46.4 mt -61.63 -31.62 71.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' C ' ' H ' ' A' ' 12' ' ' ASP . 9.6 p -84.37 -25.7 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 p -74.62 17.12 0.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.629 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 35.9 p-10 -103.7 -33.5 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.5 m-20 -81.3 -4.25 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -102.99 52.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' NZ ' ' CB ' ' A' ' 15' ' ' LYS . 8.8 mtpm? . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.5 tt -82.42 -84.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.781 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.4 m-85 -59.56 -23.14 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.229 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.93 -37.52 87.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -84.68 -16.95 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -84.58 -40.57 17.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.028 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.59 -27.93 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -82.95 -19.38 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -85.37 -41.62 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.787 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.12 -23.45 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.406 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -69.86 -2.47 12.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.564 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.87 -55.84 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 p30 41.14 44.59 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.758 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -150.79 100.9 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mttp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.642 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.3 tt -162.2 -87.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.466 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.782 ' N ' HD23 ' A' ' 2' ' ' LEU . 8.4 m-85 -49.81 -45.63 50.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.234 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -45.52 -36.45 4.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.211 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -78.43 -34.72 47.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.703 179.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 3' ' ' PHE . 1.8 tptm -73.15 -12.29 60.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 18.3 t -81.31 -24.91 36.87 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.55 -41.52 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 6' ' ' LEU . 2.9 m -70.05 -30.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.335 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.417 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 77.8 p -82.94 40.86 0.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.499 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -146.22 -5.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -167.22 87.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.571 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 167.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.598 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 3' ' ' PHE . 8.7 tt -141.16 -91.45 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.676 0.274 . . . . 0.0 110.324 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.734 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.1 m-85 -51.95 -32.31 32.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.946 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.67 -29.01 16.39 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -83.9 -33.28 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.887 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.653 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.9 mp -80.82 -35.2 33.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.89 -11.68 60.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.028 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -85.38 -24.53 27.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -84.63 -33.45 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.24 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 6' ' ' LEU . 3.3 m -76.17 -32.14 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -90.53 30.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -161.63 33.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -56.85 -95.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 17.0 mttp -154.39 -174.93 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.566 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.805 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.6 tt -90.79 -83.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.488 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.805 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-85 -57.61 -35.9 71.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.291 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.32 -35.48 65.2 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -89.08 -6.44 57.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.215 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -96.57 -40.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.374 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -26.96 67.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.567 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -69.2 -19.01 63.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.074 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -85.92 -37.3 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' C ' ' H ' ' A' ' 12' ' ' ASP . 2.8 p -87.58 -17.59 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -67.34 4.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 10' ' ' VAL . 23.2 t0 -127.43 -3.2 6.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.6 m-20 50.42 44.48 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.772 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -75.07 -22.63 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.386 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.51 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.7 tt -95.38 -84.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.804 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-85 -58.25 -29.26 65.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.051 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.31 -40.41 81.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.826 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -24.63 38.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.38 -40.36 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.737 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.54 -18.28 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.141 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -76.83 -40.95 46.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.78 -50.54 66.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.08 -29.42 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -88.07 75.94 8.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -170.82 24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.48 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.83 -36.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -146.3 145.51 30.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.574 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 3' ' ' PHE . 8.3 tt -92.63 -87.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.409 . . . . 0.0 110.495 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.727 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.5 m-85 -57.02 -32.8 66.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.54 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -84.26 -25.58 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.791 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.936 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -83.7 -34.93 24.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.974 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 3' ' ' PHE . 44.7 mtpt -78.51 -31.75 47.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 43.7 t -74.24 -33.08 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mt -68.04 -49.51 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.06 -29.13 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.577 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 t -81.43 30.01 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 8' ' ' SER . 36.0 m-20 -157.1 -20.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.73 99.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -76.62 155.5 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 pttm . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.556 HD23 ' C ' ' A' ' 2' ' ' LEU . 2.0 tt -160.35 -88.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.678 0.275 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' LYS . 11.2 m-85 -58.0 -29.9 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.036 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.81 -35.18 68.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -87.06 -15.02 39.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.586 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -90.91 -41.39 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.735 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -70.78 -17.19 62.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.742 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 m -78.55 -19.95 51.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.496 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -84.17 -41.69 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.66 -24.38 14.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -107.74 56.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -159.16 -26.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -46.63 -22.76 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp 45.66 25.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.595 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.4 tt -105.37 -86.31 0.47 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.524 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.797 ' N ' HD23 ' A' ' 2' ' ' LEU . 4.6 m-85 -51.0 -48.21 61.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.073 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -42.79 -37.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.093 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -21.93 33.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.4 tt -83.5 -43.17 16.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.818 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' PHE . 4.5 mmmm -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.72 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 t -80.11 -31.7 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.655 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.97 -38.16 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.13 -21.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.449 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 m -73.18 45.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -159.95 -2.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.22 -99.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -178.88 143.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.561 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 3' ' ' PHE . 9.3 tt -81.79 -88.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.775 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.1 m-85 -51.94 -32.27 32.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.94 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -49.4 -30.05 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -83.21 -32.43 26.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.233 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.676 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.2 mp -82.42 -32.98 28.79 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 56.7 m -82.49 -34.02 28.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.96 -34.77 69.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -85.7 -21.69 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.428 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 48.5 p -105.97 50.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' A' ' 8' ' ' SER . 3.6 m-20 -163.62 35.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.517 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.31 27.55 9.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -57.76 117.96 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.716 ' CD1' ' H ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -85.42 -87.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.66 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.716 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 27.0 m-85 -30.57 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.5 t70 -43.83 -24.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.546 -0.461 . . . . 0.0 109.871 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 3' ' ' PHE . 6.8 tmtt? -87.73 -36.73 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.589 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' PHE . 5.4 mp -82.04 -33.43 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.675 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -76.27 -22.38 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.426 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 15.9 m -81.22 -31.03 34.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.82 -49.94 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.211 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 12' ' ' ASP . 8.8 p -64.55 -23.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.38 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 t -73.7 36.15 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 10' ' ' VAL . 4.1 m-20 -156.14 -43.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 47.59 87.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -146.34 -114.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.2 tptm . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.497 -179.929 . . . . . . . . 0 0 . 1 stop_ save_