data_4apd_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 4apd _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 12' ' ' PHE . . . . . 1.654 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -47.92 -33.36 7.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.27 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.17 -49.24 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.03 -31.2 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.222 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 7.4 m -59.68 -19.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.507 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -19.77 23.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 p -90.02 -33.24 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.02 -29.23 42.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -27.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.68 0.276 . . . . 0.0 111.334 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.1 p90 -72.07 -36.93 69.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 13.9 tt -45.17 -29.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.542 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.41 -36.58 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.33 -61.78 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.733 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -55.54 -54.21 46.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.325 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.4 t -56.44 -29.39 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 1.652 ' HD1' ' CD2' ' A' ' 12' ' ' PHE . 48.1 p90 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.652 0.263 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.1 t -43.99 -38.96 3.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.446 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -26.64 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.92 -25.85 53.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 40.2 t -53.43 -68.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -47.54 -26.74 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.372 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -64.92 -48.96 72.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.466 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.66 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -60.68 -29.14 69.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.751 0.31 . . . . 0.0 111.034 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.61 0.243 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -46.16 -28.9 1.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 1.7 p90 -64.78 -37.34 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.538 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -56.09 -19.62 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.351 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.39 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.418 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.88 -62.38 1.51 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -56.1 -19.36 12.86 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.463 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' N ' ' CD2' ' A' ' 32' ' ' LEU . 40.5 t -81.77 -20.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.899 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 13' ' ' THR . 31.7 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 10.0 t -58.78 -40.35 83.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -76.58 -30.9 57.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.76 -44.2 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.96 -45.69 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -57.2 -20.28 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.335 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -28.03 37.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.83 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -73.67 -44.44 56.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.636 0.255 . . . . 0.0 111.148 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.762 0.315 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 10.0 pt-20 -65.19 -48.47 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.645 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -57.92 -19.55 30.84 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 9.1 tt -61.88 -19.78 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.994 0.426 . . . . 0.0 110.563 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.57 -41.14 22.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.8 -61.92 1.65 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 0.0 111.076 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.614 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.95 -28.36 9.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -177.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' N ' HD12 ' A' ' 32' ' ' LEU . 22.3 t -89.67 -37.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.984 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.194 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.5 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.701 0.286 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -46.44 -29.27 1.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.366 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -76.94 -48.72 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -66.75 -29.97 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 25.8 t -58.72 -25.12 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.378 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -90.38 -19.82 23.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.519 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p -86.17 -27.15 24.74 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.662 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -65.53 -26.65 67.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.358 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.074 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.671 0.272 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.55 -54.8 41.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.302 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 3.8 p90 -61.16 -34.9 75.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 1.4 tt -54.66 -27.69 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 111.247 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.87 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CE3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.31 -57.17 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD13 ' CE3' ' A' ' 31' ' ' TRP . 1.5 mp -59.84 -54.28 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.24 -54.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.166 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.673 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -94.7 -71.08 0.68 Allowed 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 121.2 0.524 . . . . 0.0 111.352 178.573 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -84.07 -47.06 11.32 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.098 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 68.7 m-20 -45.57 -29.47 1.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.119 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.673 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 8.4 m -40.63 -43.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.031 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -47.25 -26.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.245 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 m -73.11 -37.92 66.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.503 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -63.15 -19.87 64.87 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.654 0.264 . . . . 0.0 110.926 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD21 ' CE1' ' A' ' 19' ' ' TYR . 18.7 mt . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' HG21 ' A' ' 29' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -59.13 -30.17 67.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.41 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.667 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -79.84 -43.09 23.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -49.76 -27.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 29' ' ' ILE . . . -76.32 -31.72 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.47 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.84 -60.3 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.691 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -60.47 -47.79 84.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.097 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.04 -23.95 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.966 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.05 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.1 p -50.14 -25.8 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.636 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -33.4 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.758 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -89.91 -38.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.471 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 6.3 m -58.9 -19.55 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.678 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 m -73.57 -19.86 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 t -90.42 -60.54 1.89 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.658 ' HE2' ' CE1' ' A' ' 19' ' ' TYR . 1.5 p90 -45.3 -36.96 4.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.683 0.278 . . . . 0.0 111.708 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 111.108 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.714 0.292 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.43 -21.8 17.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.445 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -72.93 -46.49 52.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.478 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 6.2 tt -50.47 -26.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.631 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -19.89 49.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.425 ' CH2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.56 -39.71 36.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.342 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -90.02 -47.12 8.04 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.371 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -59.41 -24.24 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 111.215 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -56.49 -43.53 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -89.4 -30.66 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.53 -26.64 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 11.9 t -85.81 -19.95 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 t -90.31 -21.29 22.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -90.56 -27.9 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -78.36 -19.85 52.54 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 111.502 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HG1' HG23 ' A' ' 29' ' ' ILE . 2.2 tppm? . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -43.99 -29.64 0.61 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.524 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.7 p90 -60.31 -37.25 79.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.01 0.433 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.555 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.51 -26.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.811 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.64 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.344 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.31 -61.52 1.87 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -60.92 -19.39 60.56 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.441 ' CG2' HD12 ' A' ' 29' ' ' ILE . 56.0 t -90.07 -22.9 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -82.07 -41.33 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -60.09 -48.9 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.84 -51.42 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.431 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 11.3 p -69.81 -19.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.404 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.5 t -81.13 -19.73 42.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.207 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -57.04 -44.17 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.842 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.07 -43.33 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.596 0.236 . . . . 0.0 111.426 -179.155 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.1 -29.9 0.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 111.048 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 5.0 p90 -57.57 -37.34 72.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.096 0.474 . . . . 0.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.439 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 4.1 tt -53.65 -24.01 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.528 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.63 -24.01 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.85 -60.46 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.3 pp -53.48 -22.53 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.971 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' N ' HD13 ' A' ' 32' ' ' LEU . 13.7 p -89.99 -39.59 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.29 . . . . 0.0 111.548 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.979 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.622 0.248 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.1 p -45.53 -43.97 12.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.77 0.319 . . . . 0.0 111.435 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -90.0 -36.03 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -66.16 -25.89 67.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.279 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.476 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 14.4 p -54.95 -22.86 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -90.32 -19.69 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.1 -35.89 19.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.654 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -54.48 -25.16 23.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.08 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 19' ' ' TYR . 18.8 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HD1' ' HA ' ' A' ' 26' ' ' LYS . 1.5 tppt? . . . . . 0 N--CA 1.463 0.189 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -42.74 -39.8 2.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 28' ' ' PHE . 1.5 p90 -50.79 -40.03 54.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.179 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 9.3 tt -45.85 -26.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.955 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.92 64.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.906 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.674 ' CE2' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.64 -50.66 66.22 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD12 ' CE2' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -48.31 -67.63 0.25 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.473 0.654 . . . . 0.0 110.465 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p -50.26 -43.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.208 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -57.39 -69.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m -83.36 -23.28 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -29.91 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.128 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 38.2 t -80.79 -66.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -26.57 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -63.81 -29.09 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.608 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -89.63 -29.12 19.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 111.08 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 2.9 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HD1' ' HA ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.82 -21.8 63.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.611 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 1.6 p90 -89.9 -38.57 13.61 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 3.0 tt -45.59 -28.33 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.838 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.23 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.467 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.598 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -69.8 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -63.64 -36.77 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.877 -178.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.09 -26.32 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 110.969 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.618 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -78.54 -32.45 47.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -87.56 -30.93 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.96 -35.68 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 11.7 p -72.44 -46.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 p -58.2 -19.96 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.287 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -29.2 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.815 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.625 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -84.15 -47.66 10.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.26 . . . . 0.0 111.427 -179.542 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD1' ' HA ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.371 0.129 . . . . 0.0 110.678 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -51.88 -29.76 21.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.594 0.711 . . . . 0.0 109.14 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.673 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 12.9 t80 -53.8 -71.5 0.07 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.312 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.652 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -45.9 -19.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.0 -20.31 38.72 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.908 ' CZ3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -74.54 -51.2 15.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.252 0.549 . . . . 0.0 111.387 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.652 ' CD1' ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -76.54 -19.04 58.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.734 -177.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' A' ' 29' ' ' ILE . 76.7 t -84.83 -21.51 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 0.0 110.993 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 48.4 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.749 0.309 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -48.11 -59.14 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -90.13 -40.04 12.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -48.1 -28.46 2.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 19' ' ' TYR . 13.6 t -81.34 -51.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.882 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.424 ' HA ' ' CG ' ' A' ' 20' ' ' LEU . 3.1 m -50.03 -23.31 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -71.32 -33.34 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.656 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 1.1 p90 -90.13 -50.17 6.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 1.3 pp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 111.161 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 12.6 mmmt . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.584 0.23 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -42.87 -31.36 0.49 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.912 0.386 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -65.25 -40.29 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.134 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 11.2 tt -49.0 -30.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.92 -24.39 57.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.532 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -61.22 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -58.81 -33.64 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.316 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 29' ' ' ILE . 98.4 t -59.56 -25.85 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -49.3 -28.84 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.89 -42.91 15.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.97 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.431 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 23.9 t -61.89 -62.72 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -49.62 -26.83 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.011 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -37.59 75.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.589 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 3.2 mp . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.813 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.59 0.233 . . . . 0.0 111.515 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -48.25 -43.64 32.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 111.404 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.658 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 4.1 p90 -46.11 -42.32 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' N ' ' CG ' ' A' ' 28' ' ' PHE . 11.4 tt -49.17 -26.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.895 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.4 -20.06 44.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.411 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.93 -52.16 8.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.103 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -56.57 -61.98 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.86 -25.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 1.605 ' HD2' ' CD1' ' A' ' 12' ' ' PHE . 11.5 p90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.686 0.279 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -42.36 -55.03 3.54 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -22.5 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.164 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' A' ' 19' ' ' TYR . 62.1 t -55.6 -59.02 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.036 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.6 m -53.05 -24.06 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -37.56 83.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.368 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CE1' HD21 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -81.11 -19.95 42.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.639 0.257 . . . . 0.0 111.146 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 19' ' ' TYR . 32.7 mt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.279 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.91 -28.13 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.363 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 1.7 p90 -61.67 -36.54 81.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.525 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.1 tt -55.44 -19.75 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.941 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -19.65 65.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.634 0.254 . . . . 0.0 111.503 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.09 -63.88 1.24 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.25 -19.57 35.11 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.452 HG21 ' CD2' ' A' ' 32' ' ' LEU . 25.2 t -82.16 -30.4 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.797 0.332 . . . . 0.0 110.674 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.4 p90 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.609 0.242 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -45.25 -47.26 12.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -90.01 -27.09 19.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.777 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.65 -19.95 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.311 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.434 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 85.5 t -49.19 -56.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.225 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 t -54.33 -21.64 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.488 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -62.59 -42.62 99.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.653 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.619 ' HE2' ' CE1' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -64.24 -46.62 82.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.639 0.257 . . . . 0.0 111.153 -179.463 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.793 0.33 . . . . 0.0 111.341 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.623 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -65.7 -46.46 78.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 18.0 tt -47.5 -29.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.7 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -19.99 60.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.671 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -83.77 -58.59 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 111.503 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -72.75 -19.75 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 29' ' ' ILE . 7.7 p -75.16 -29.26 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.045 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.622 0.249 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.407 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -90.34 -32.54 16.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.195 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -26.95 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.528 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 7.6 p -74.24 -46.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.481 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.403 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 1.5 p -60.17 -19.95 56.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.375 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.21 -49.84 68.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.749 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -58.95 -22.12 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.552 -179.098 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' A' ' 19' ' ' TYR . 2.7 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.36 -29.07 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.0 p90 -64.27 -41.91 96.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 15.0 tt -48.49 -29.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.431 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.47 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -71.12 -59.78 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.1 pp -59.15 -40.98 87.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.222 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.415 HG21 ' CD1' ' A' ' 32' ' ' LEU . 93.9 t -61.66 -28.39 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 1.667 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.025 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -57.77 -29.9 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.028 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -88.88 -30.46 18.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.22 -36.84 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.478 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 22.5 m -70.05 -34.58 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -55.95 -20.45 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.18 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -77.3 -44.32 30.08 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -58.69 -27.52 64.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.701 0.286 . . . . 0.0 111.044 -179.392 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.403 HD13 ' CE2' ' A' ' 19' ' ' TYR . 2.3 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.04 -34.81 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.643 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -63.84 -36.69 84.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 14.8 tt -56.69 -19.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.49 60.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.844 0.354 . . . . 0.0 110.643 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.05 -60.57 2.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.842 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.44 -19.52 63.58 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.595 -179.215 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.431 ' N ' HD21 ' A' ' 32' ' ' LEU . 29.2 t -86.4 -21.08 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.964 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.776 0.322 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -58.77 -43.28 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -88.68 -30.03 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 14.5 p -80.61 -43.94 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.283 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -57.66 -21.01 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -39.45 65.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.638 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -80.95 -31.12 35.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.035 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 2.6 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.01 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.445 0.164 . . . . 0.0 111.401 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -43.76 -32.12 0.96 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.101 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.659 ' HE2' ' CE1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -64.53 -42.15 95.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.739 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 1.5 tt -52.77 -30.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' N ' HG21 ' A' ' 29' ' ' ILE . . . -66.6 -27.55 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.375 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -74.23 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.828 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -58.86 -41.47 87.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.415 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.8 -28.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.706 0.289 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.763 0.316 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 p -60.63 -47.68 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -30.72 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -59.18 -39.79 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.488 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.7 p -68.63 -19.7 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -88.12 -19.81 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -75.63 -42.74 50.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.629 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -56.27 -23.4 36.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.743 0.306 . . . . 0.0 111.025 -179.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 19' ' ' TYR . 14.9 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.774 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -34.13 75.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.654 ' HE1' ' CE2' ' A' ' 28' ' ' PHE . 6.2 p90 -87.95 -38.17 15.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.577 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -53.04 -21.46 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.788 0.327 . . . . 0.0 111.25 -179.363 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.96 -19.81 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.239 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.653 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -89.81 -59.77 2.11 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.947 0.404 . . . . 0.0 111.607 -179.692 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -52.23 -20.55 2.71 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.419 -177.327 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.552 ' N ' HD12 ' A' ' 32' ' ' LEU . 53.4 t -90.34 -44.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.762 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.778 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.3 p90 . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.439 0.161 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 t -35.73 -36.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -90.21 -44.01 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.89 -19.59 65.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.507 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 73.3 t -45.17 -25.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -89.27 -31.85 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -90.93 -19.93 22.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.665 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -85.03 -21.49 29.41 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 1.3 pp . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.176 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.666 0.27 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.82 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.372 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 1.4 p90 -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.924 0.392 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 11.3 tt -54.89 -31.54 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.386 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.05 72.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.51 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.17 -67.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.04 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.1 pp -56.19 -44.68 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.9 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 29' ' ' ILE . 5.5 p -56.37 -37.72 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.457 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.91 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.27 172.08 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.56 170.46 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.58 175.4 19.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.59 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.89 122.5 19.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.792 0.329 . . . . 0.0 110.551 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.654 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -169.95 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -47.92 -33.36 7.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.27 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.17 -49.24 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.03 -31.2 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.222 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 7.4 m -59.68 -19.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.507 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -19.77 23.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 p -90.02 -33.24 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.02 -29.23 42.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.79 -29.17 59.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -96.35 -27.26 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.113 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.05 114.39 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.291 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.33 -78.89 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 111.386 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.41 38.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.709 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -54.29 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.491 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -46.65 -25.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.592 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -27.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.68 0.276 . . . . 0.0 111.334 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.1 p90 -72.07 -36.93 69.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 13.9 tt -45.17 -29.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.542 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.41 -36.58 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.33 -61.78 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.733 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -55.54 -54.21 46.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.325 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.4 t -56.44 -29.39 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -106.19 55.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.92 49.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -161.01 38.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.517 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.492 ' C02' ' CE2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.95 170.14 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -169.91 143.3 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -169.89 45.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.86 139.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.809 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.652 ' HD1' ' CD2' ' A' ' 12' ' ' PHE . 48.1 p90 -138.71 -42.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.258 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.1 t -43.99 -38.96 3.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.446 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -26.64 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.92 -25.85 53.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 40.2 t -53.43 -68.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -47.54 -26.74 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.372 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -64.92 -48.96 72.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.466 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.66 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -60.68 -29.14 69.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.751 0.31 . . . . 0.0 111.034 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.01 -76.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -147.72 -73.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 -128.2 30.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.643 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.58 -20.02 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.634 0.254 . . . . 0.0 111.267 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.62 31.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.859 0.361 . . . . 0.0 111.325 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.42 -38.29 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -26.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.606 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -46.16 -28.9 1.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 1.7 p90 -64.78 -37.34 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.538 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -56.09 -19.62 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.351 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.39 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.418 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.88 -62.38 1.51 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -56.1 -19.36 12.86 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.463 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' N ' ' CD2' ' A' ' 32' ' ' LEU . 40.5 t -81.77 -20.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.899 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -112.39 78.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.94 -36.23 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.789 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -100.67 -177.71 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.971 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.365 -1.241 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1038 ' ' D6M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.86 140.94 51.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -93.92 119.6 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.97 179.67 16.81 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -152.9 165.8 34.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 13' ' ' THR . 31.7 p90 -111.07 -41.23 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 10.0 t -58.78 -40.35 83.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -76.58 -30.9 57.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.76 -44.2 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.96 -45.69 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -57.2 -20.28 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.335 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -28.03 37.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.83 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -73.67 -44.44 56.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.636 0.255 . . . . 0.0 111.148 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -86.97 119.3 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -174.63 121.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.37 179.51 19.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -23.62 37.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.57 63.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . . . -81.39 -20.04 41.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -19.33 65.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 0.0 111.337 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 10.0 pt-20 -65.19 -48.47 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.645 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -57.92 -19.55 30.84 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 9.1 tt -61.88 -19.78 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.994 0.426 . . . . 0.0 110.563 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.57 -41.14 22.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.8 -61.92 1.65 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 0.0 111.076 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.614 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.95 -28.36 9.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -177.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' N ' HD12 ' A' ' 32' ' ' LEU . 22.3 t -89.67 -37.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.984 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.86 117.82 33.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.194 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.94 -34.18 5.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' HD3' ' NE1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -97.04 148.81 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.495 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.682 ' C14' ' CE2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.68 103.02 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -151.57 149.86 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.21 171.23 30.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.553 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -157.25 152.17 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -135.3 -43.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -46.44 -29.27 1.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.366 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -76.94 -48.72 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -66.75 -29.97 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 25.8 t -58.72 -25.12 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.378 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -90.38 -19.82 23.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.519 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p -86.17 -27.15 24.74 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.662 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -65.53 -26.65 67.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.358 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.11 -57.07 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.074 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 63.21 30.39 15.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.19 47.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -26.93 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.26 -32.72 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.337 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.555 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -90.16 -37.17 14.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.55 -19.81 27.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.21 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.55 -54.8 41.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.302 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 3.8 p90 -61.16 -34.9 75.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 1.4 tt -54.66 -27.69 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 111.247 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.87 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CE3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.31 -57.17 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD13 ' CE3' ' A' ' 31' ' ' TRP . 1.5 mp -59.84 -54.28 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.415 HG21 ' C24' ' A' 1038 ' ' D6M . 88.8 t -54.24 -54.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.166 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -59.76 -55.04 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.29 88.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -83.73 -48.92 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.497 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.518 HP32 ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.794 0.33 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.77 145.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -141.0 -173.07 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.01 142.37 36.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.499 ' HA ' ' CB ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -162.9 127.02 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.528 0.204 . . . . 0.0 111.165 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.673 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -163.71 -84.21 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.072 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -94.7 -71.08 0.68 Allowed 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 121.2 0.524 . . . . 0.0 111.352 178.573 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -84.07 -47.06 11.32 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.098 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' CB ' ' HA ' ' A' ' 11' ' ' THR . 68.7 m-20 -45.57 -29.47 1.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.119 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.673 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 8.4 m -40.63 -43.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.031 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -47.25 -26.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.245 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 m -73.11 -37.92 66.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.503 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -63.15 -19.87 64.87 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.654 0.264 . . . . 0.0 110.926 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD21 ' CE1' ' A' ' 19' ' ' TYR . 18.7 mt -68.79 69.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -123.23 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.82 104.02 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -53.3 -28.1 26.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.98 -28.29 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -58.63 -36.21 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' HG21 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -90.36 -19.77 23.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -59.13 -30.17 67.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.41 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.667 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -79.84 -43.09 23.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -49.76 -27.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 29' ' ' ILE . . . -76.32 -31.72 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.47 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.84 -60.3 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.691 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -60.47 -47.79 84.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.097 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.548 HG22 HPF2 ' A' 1038 ' ' D6M . 9.8 p -65.04 -23.95 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.966 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -110.3 -75.25 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TRP . . . -65.0 -88.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.541 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER 56.82 68.98 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.543 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.548 HPF2 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.79 0.329 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 165.39 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.41 168.14 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.39 102.88 1.53 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -148.3 104.49 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -158.91 -59.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.1 p -50.14 -25.8 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.636 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -33.4 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.758 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -89.91 -38.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.471 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 6.3 m -58.9 -19.55 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.678 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 m -73.57 -19.86 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 t -90.42 -60.54 1.89 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.658 ' HE2' ' CE1' ' A' ' 19' ' ' TYR . 1.5 p90 -45.3 -36.96 4.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.683 0.278 . . . . 0.0 111.708 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 pp -53.43 152.88 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 111.108 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.26 160.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.9 -124.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.589 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -30.49 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 0.0 111.051 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.81 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.29 -57.51 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -28.84 0.47 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.631 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.43 -21.8 17.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.445 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -72.93 -46.49 52.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.478 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 6.2 tt -50.47 -26.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.631 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -19.89 49.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.425 ' CH2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.56 -39.71 36.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.342 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -90.02 -47.12 8.04 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.371 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -59.41 -24.24 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 111.215 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 -112.12 44.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.43 -56.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.545 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -66.5 110.7 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.402 HP22 ' CD2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.844 0.354 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.86 176.55 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.23 141.36 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.78 -170.63 43.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -179.03 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -170.19 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -56.49 -43.53 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -89.4 -30.66 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.53 -26.64 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.42 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 11.9 t -85.81 -19.95 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 t -90.31 -21.29 22.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -90.56 -27.9 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -78.36 -19.85 52.54 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -80.57 -3.56 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 111.502 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 69.06 -67.85 0.2 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.5 72.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -67.48 -29.87 69.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.46 58.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.26 -53.99 50.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.229 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HG1' HG23 ' A' ' 29' ' ' ILE . 2.2 tppm? -38.74 -32.15 0.08 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.689 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -43.99 -29.64 0.61 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.524 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.7 p90 -60.31 -37.25 79.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.01 0.433 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.555 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.51 -26.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.811 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.64 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.344 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.31 -61.52 1.87 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -60.92 -19.39 60.56 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.441 ' CG2' HD12 ' A' ' 29' ' ' ILE . 56.0 t -90.07 -22.9 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.04 70.86 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.26 94.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -131.03 34.75 4.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.389 -1.229 . . . . 0.0 112.457 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.457 ' N03' ' CE2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.85 95.87 7.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -117.49 170.11 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.28 103.26 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -133.74 141.67 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -169.96 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -82.07 -41.33 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -60.09 -48.9 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.84 -51.42 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 11.3 p -69.81 -19.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.404 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.5 t -81.13 -19.73 42.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.207 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -57.04 -44.17 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.842 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.07 -43.33 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.596 0.236 . . . . 0.0 111.426 -179.155 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -88.76 152.46 21.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -135.85 31.25 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.45 83.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -33.02 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.58 68.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.41 -48.95 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -27.21 0.14 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.765 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.1 -29.9 0.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 111.048 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 5.0 p90 -57.57 -37.34 72.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.096 0.474 . . . . 0.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.439 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 4.1 tt -53.65 -24.01 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.528 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.63 -24.01 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.85 -60.46 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.3 pp -53.48 -22.53 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.971 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' N ' HD13 ' A' ' 32' ' ' LEU . 13.7 p -89.99 -39.59 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.29 . . . . 0.0 111.548 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -80.78 -45.47 16.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.979 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.07 96.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 ttp-105 -98.66 34.2 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.509 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.437 HP42 ' CZ3' ' A' ' 31' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.78 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 159.75 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.49 -169.94 19.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -69.81 91.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.738 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.66 -35.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.39 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.1 p -45.53 -43.97 12.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.77 0.319 . . . . 0.0 111.435 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -90.0 -36.03 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -66.16 -25.89 67.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.279 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.476 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 14.4 p -54.95 -22.86 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -90.32 -19.69 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.1 -35.89 19.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.654 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -54.48 -25.16 23.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.08 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 19' ' ' TYR . 18.8 mt -52.38 141.08 20.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 64.03 16.59 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.274 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.79 94.74 0.01 OUTLIER Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -30.94 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.74 70.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.19 -59.47 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HD1' ' HA ' ' A' ' 26' ' ' LYS . 1.5 tppt? -44.67 -26.54 0.39 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -42.74 -39.8 2.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 28' ' ' PHE . 1.5 p90 -50.79 -40.03 54.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.179 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 9.3 tt -45.85 -26.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.955 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.92 64.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.906 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.674 ' CE2' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.64 -50.66 66.22 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD12 ' CE2' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -48.31 -67.63 0.25 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.473 0.654 . . . . 0.0 110.465 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.558 HG22 HPF2 ' A' 1038 ' ' D6M . 12.8 p -50.26 -43.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.208 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -70.37 -28.74 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.79 85.49 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.574 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 -172.15 149.41 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.49 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.568 HP61 ' CH2' ' A' ' 31' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.817 0.341 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.7 90.0 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.42 -175.86 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.9 175.35 21.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 165.24 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -170.02 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -57.39 -69.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m -83.36 -23.28 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -29.91 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.128 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 38.2 t -80.79 -66.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -26.57 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -63.81 -29.09 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.608 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -89.63 -29.12 19.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 111.08 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 2.9 mp -76.0 -84.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 169.6 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.932 0.396 . . . . 0.0 110.701 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.94 -163.73 37.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.97 -41.85 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.71 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' O ' ' CE2' ' A' ' 28' ' ' PHE . . . -54.45 -41.2 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 111.231 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HD1' ' HA ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -90.18 -19.58 24.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.08 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.82 -21.8 63.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.611 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 1.6 p90 -89.9 -38.57 13.61 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 3.0 tt -45.59 -28.33 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.838 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.23 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.467 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.598 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -69.8 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -63.64 -36.77 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.877 -178.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG23 HPE2 ' A' 1038 ' ' D6M . 91.8 t -69.09 -26.32 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 110.969 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -82.72 58.58 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 -106.8 2.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.22 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.94 28.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.507 HP42 ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.821 0.344 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.79 109.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -81.59 115.71 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.63 102.35 1.86 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.73 169.2 20.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -165.42 -50.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -78.54 -32.45 47.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -87.56 -30.93 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.96 -35.68 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 11.7 p -72.44 -46.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 p -58.2 -19.96 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.287 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -29.2 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.815 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.625 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -84.15 -47.66 10.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.26 . . . . 0.0 111.427 -179.542 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -71.62 153.1 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.61 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.68 -143.81 6.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -40.67 96.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.41 44.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.358 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.04 -20.05 22.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD1' ' HA ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.48 -52.42 6.51 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.678 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -51.88 -29.76 21.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.594 0.711 . . . . 0.0 109.14 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.673 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 12.9 t80 -53.8 -71.5 0.07 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.312 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.652 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -45.9 -19.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.0 -20.31 38.72 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.908 ' CZ3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -74.54 -51.2 15.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.252 0.549 . . . . 0.0 111.387 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.652 ' CD1' ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -76.54 -19.04 58.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.734 -177.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' A' ' 29' ' ' ILE . 76.7 t -84.83 -21.51 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 0.0 110.993 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -51.73 5.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.59 -42.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.62 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 66.31 -73.52 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.545 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.984 HP21 ' CE2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.85 0.357 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.63 150.44 36.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.47 114.58 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.05 -169.92 7.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -69.83 -175.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.748 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CZ ' HG23 ' A' ' 16' ' ' VAL . 48.4 t80 -170.12 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.043 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -48.11 -59.14 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -90.13 -40.04 12.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -48.1 -28.46 2.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 19' ' ' TYR . 13.6 t -81.34 -51.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.882 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.424 ' HA ' ' CG ' ' A' ' 20' ' ' LEU . 3.1 m -50.03 -23.31 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -71.32 -33.34 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.656 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 1.1 p90 -90.13 -50.17 6.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 1.3 pp -55.07 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 111.161 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -135.44 -72.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.96 56.68 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.952 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -31.16 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.75 -59.7 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.356 . . . . 0.0 111.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 -45.97 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 12.6 mmmt -50.03 -24.25 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -42.87 -31.36 0.49 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.912 0.386 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -65.25 -40.29 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.134 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 11.2 tt -49.0 -30.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.92 -24.39 57.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.532 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -61.22 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -58.81 -33.64 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.316 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 29' ' ' ILE . 98.4 t -59.56 -25.85 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -98.52 31.42 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 99.06 1.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.385 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -130.84 -70.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.469 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.429 HP42 ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.54 165.23 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.35 139.44 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.21 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -103.83 90.28 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -137.12 -45.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -49.3 -28.84 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.89 -42.91 15.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.97 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 23.9 t -61.89 -62.72 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -49.62 -26.83 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.011 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -37.59 75.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.589 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 3.2 mp -85.76 56.75 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.813 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.27 45.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.5 68.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.577 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -19.87 62.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.299 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' O ' ' HD2' ' A' ' 28' ' ' PHE . . . -82.09 -19.43 40.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.801 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.11 -19.97 23.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.59 0.233 . . . . 0.0 111.515 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -48.25 -43.64 32.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 111.404 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.658 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 4.1 p90 -46.11 -42.32 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' N ' ' CG ' ' A' ' 28' ' ' PHE . 11.4 tt -49.17 -26.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.895 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.4 -20.06 44.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.418 ' CH2' HP51 ' A' 1038 ' ' D6M . 0.0 OUTLIER -79.93 -52.16 8.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.103 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -56.57 -61.98 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.86 -25.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -58.76 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.827 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.55 -114.06 2.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.415 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 61.05 112.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.498 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.434 HP32 ' CD2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.6 m170 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.12 -170.02 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.97 -177.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.16 105.78 0.68 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.608 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -142.06 157.85 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.605 ' HD2' ' CD1' ' A' ' 12' ' ' PHE . 11.5 p90 -132.52 -42.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.201 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -42.36 -55.03 3.54 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -22.5 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.164 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' A' ' 19' ' ' TYR . 62.1 t -55.6 -59.02 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.036 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.6 m -53.05 -24.06 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -37.56 83.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.368 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CE1' HD21 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -81.11 -19.95 42.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.639 0.257 . . . . 0.0 111.146 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 19' ' ' TYR . 32.7 mt -67.4 -13.17 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 44.04 83.18 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.932 0.396 . . . . 0.0 111.403 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 42.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -87.46 -28.32 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.65 -28.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -73.38 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -45.81 -27.03 0.76 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.91 -28.13 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.363 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 1.7 p90 -61.67 -36.54 81.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.525 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.1 tt -55.44 -19.75 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.941 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -19.65 65.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.634 0.254 . . . . 0.0 111.503 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.09 -63.88 1.24 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.25 -19.57 35.11 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.452 HG21 ' CD2' ' A' ' 32' ' ' LEU . 25.2 t -82.16 -30.4 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.797 0.332 . . . . 0.0 110.674 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 -78.76 -30.66 45.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.7 105.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.62 -62.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.51 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.458 HP51 ' CZ3' ' A' ' 31' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.64 -175.64 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.48 175.01 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.86 107.47 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.583 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.4 t -147.05 89.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -112.22 -26.25 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.203 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -45.25 -47.26 12.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -90.01 -27.09 19.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.777 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.65 -19.95 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.311 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.434 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 85.5 t -49.19 -56.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.225 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 t -54.33 -21.64 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.488 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -62.59 -42.62 99.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.653 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.619 ' HE2' ' CE1' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -64.24 -46.62 82.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.639 0.257 . . . . 0.0 111.153 -179.463 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -78.18 101.35 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -58.3 -29.11 65.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.6 41.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.411 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -57.9 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.67 61.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.44 -76.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -44.62 -28.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.341 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.623 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -65.7 -46.46 78.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 18.0 tt -47.5 -29.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.7 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -19.99 60.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.671 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -83.77 -58.59 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 111.503 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -72.75 -19.75 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 29' ' ' ILE . 7.7 p -75.16 -29.26 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.045 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -86.56 55.46 3.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.82 81.63 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 9.3 ptt85 -85.68 120.82 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.553 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.443 HP51 ' CH2' ' A' ' 31' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.72 99.57 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -77.11 -179.06 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.86 106.56 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.595 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.78 164.19 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -115.41 -24.7 8.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.407 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -90.34 -32.54 16.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.195 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -26.95 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.528 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 7.6 p -74.24 -46.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.481 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 1.5 p -60.17 -19.95 56.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.375 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.21 -49.84 68.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.749 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -58.95 -22.12 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.552 -179.098 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' A' ' 19' ' ' TYR . 2.7 mp -79.92 126.71 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.25 55.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.13 -51.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.412 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -26.93 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.05 54.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.25 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.71 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -44.75 -27.56 0.52 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.684 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.36 -29.07 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.0 p90 -64.27 -41.91 96.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 15.0 tt -48.49 -29.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.431 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.47 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -71.12 -59.78 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.1 pp -59.15 -40.98 87.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.222 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.415 HG21 ' CD1' ' A' ' 32' ' ' LEU . 93.9 t -61.66 -28.39 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -59.43 -48.84 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.52 -43.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.692 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -56.59 107.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.442 -1.199 . . . . 0.0 112.484 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.416 HP62 ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.19 128.34 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.8 148.89 33.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.77 154.05 25.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.99 -174.68 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.667 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -149.21 -59.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -57.77 -29.9 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.028 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -88.88 -30.46 18.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.22 -36.84 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.478 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 22.5 m -70.05 -34.58 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -55.95 -20.45 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.18 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -77.3 -44.32 30.08 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -58.69 -27.52 64.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.701 0.286 . . . . 0.0 111.044 -179.392 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.403 HD13 ' CE2' ' A' ' 19' ' ' TYR . 2.3 mp -75.35 163.96 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -141.13 36.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 85.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.564 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.11 -39.46 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -19.87 59.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.411 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -75.69 -19.82 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.467 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.33 -19.56 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.623 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.04 -34.81 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.643 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -63.84 -36.69 84.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 14.8 tt -56.69 -19.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.49 60.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.844 0.354 . . . . 0.0 110.643 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.05 -60.57 2.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.842 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.44 -19.52 63.58 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.595 -179.215 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.431 ' N ' HD21 ' A' ' 32' ' ' LEU . 29.2 t -86.4 -21.08 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -107.15 84.01 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.01 -64.92 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.642 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -64.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.521 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.442 HP22 ' CD2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 p80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.65 169.0 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.97 131.11 50.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.55 179.68 37.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.01 155.63 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -133.27 -46.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -58.77 -43.28 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -88.68 -30.03 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 14.5 p -80.61 -43.94 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.283 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -57.66 -21.01 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -39.45 65.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.638 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -80.95 -31.12 35.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.035 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 2.6 mp -69.01 -74.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.01 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -172.27 -49.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.16 75.71 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.376 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.87 -24.3 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.641 0.258 . . . . 0.0 111.427 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -57.31 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.418 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.79 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -22.49 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.401 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -43.76 -32.12 0.96 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.101 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.659 ' HE2' ' CE1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -64.53 -42.15 95.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.739 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 1.5 tt -52.77 -30.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' N ' HG21 ' A' ' 29' ' ' ILE . . . -66.6 -27.55 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.375 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -74.23 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.828 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -58.86 -41.47 87.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.415 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.8 -28.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.706 0.289 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -39.64 82.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.72 71.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.584 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -128.96 30.82 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.543 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.458 HP22 ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.44 -171.35 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.22 131.21 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.91 155.66 22.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -74.49 139.23 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -149.31 -49.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 p -60.63 -47.68 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -30.72 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -59.18 -39.79 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.7 p -68.63 -19.7 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -88.12 -19.81 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -75.63 -42.74 50.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.629 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -56.27 -23.4 36.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.743 0.306 . . . . 0.0 111.025 -179.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 19' ' ' TYR . 14.9 mt -58.89 -162.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 72.8 79.44 0.14 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.67 -129.42 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -22.75 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.84 77.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.306 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -55.2 -24.6 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -19.73 65.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -34.13 75.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.654 ' HE1' ' CE2' ' A' ' 28' ' ' PHE . 6.2 p90 -87.95 -38.17 15.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.577 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -53.04 -21.46 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.788 0.327 . . . . 0.0 111.25 -179.363 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.96 -19.81 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.239 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.653 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -89.81 -59.77 2.11 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.947 0.404 . . . . 0.0 111.607 -179.692 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -52.23 -20.55 2.71 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.419 -177.327 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.552 ' N ' HD12 ' A' ' 32' ' ' LEU . 53.4 t -90.34 -44.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.762 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -56.64 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.778 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.03 -132.92 7.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 60.76 156.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.525 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.473 HPA1 HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.95 45.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -85.85 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.02 116.41 6.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.69 -170.86 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -170.15 -36.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.383 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 t -35.73 -36.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -90.21 -44.01 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.89 -19.59 65.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.507 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 73.3 t -45.17 -25.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -89.27 -31.85 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -90.93 -19.93 22.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.665 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -85.03 -21.49 29.41 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 1.3 pp -49.81 161.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.176 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 63.54 53.05 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.57 101.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.585 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -59.57 -26.46 65.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 111.201 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.95 -59.44 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.27 -46.35 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.58 -24.37 2.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.256 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.82 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.372 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 1.4 p90 -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.924 0.392 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 11.3 tt -54.89 -31.54 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.386 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.05 72.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.51 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.17 -67.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.04 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.1 pp -56.19 -44.68 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.9 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.563 HG22 HPE2 ' A' 1038 ' ' D6M . 5.5 p -56.37 -37.72 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.457 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -100.37 -77.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 76.36 0.38 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -176.71 156.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.332 . . . . 0.0 110.76 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.557 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1038 ' ' D6M . . . . . 0.563 HPE2 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.455 ' C ' HG22 ' A' ' 16' ' ' VAL . 10.0 t -47.92 -33.36 7.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.27 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.17 -49.24 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.03 -31.2 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.222 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 12' ' ' PHE . 7.4 m -59.68 -19.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.507 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -19.77 23.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 p -90.02 -33.24 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.02 -29.23 42.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.916 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -27.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.68 0.276 . . . . 0.0 111.334 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.1 p90 -72.07 -36.93 69.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 26' ' ' LYS . 13.9 tt -45.17 -29.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.542 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.41 -36.58 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.33 -61.78 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.733 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.619 HD12 HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -55.54 -54.21 46.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.325 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.619 HG23 HD12 ' A' ' 32' ' ' LEU . 96.4 t -56.44 -29.39 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.1 p90 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.652 0.263 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.1 t -43.99 -38.96 3.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.446 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -26.64 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.92 -25.85 53.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 12' ' ' PHE . 40.2 t -53.43 -68.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -47.54 -26.74 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.372 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -64.92 -48.96 72.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.466 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.465 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -60.68 -29.14 69.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.751 0.31 . . . . 0.0 111.034 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.61 0.243 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -46.16 -28.9 1.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.7 p90 -64.78 -37.34 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.519 ' HA ' HD21 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -56.09 -19.62 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.351 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.39 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.418 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.88 -62.38 1.51 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD13 ' H ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.1 -19.36 12.86 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.463 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG23 ' CD2' ' A' ' 32' ' ' LEU . 40.5 t -81.77 -20.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.899 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 13' ' ' THR . 31.7 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 10.0 t -58.78 -40.35 83.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -76.58 -30.9 57.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.76 -44.2 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 17' ' ' SER . 11.9 p -71.96 -45.69 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.538 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -57.2 -20.28 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.335 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -28.03 37.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.83 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -73.67 -44.44 56.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.636 0.255 . . . . 0.0 111.148 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.728 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.762 0.315 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 10.0 pt-20 -65.19 -48.47 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.92 -19.55 30.84 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.1 tt -61.88 -19.78 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.994 0.426 . . . . 0.0 110.563 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.57 -41.14 22.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.8 -61.92 1.65 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 0.0 111.076 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.918 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.95 -28.36 9.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -177.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.646 ' N ' HD13 ' A' ' 32' ' ' LEU . 22.3 t -89.67 -37.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.984 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.194 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.898 ' O ' HG23 ' A' ' 16' ' ' VAL . 6.5 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.701 0.286 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -46.44 -29.27 1.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.366 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -76.94 -48.72 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -66.75 -29.97 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 12' ' ' PHE . 25.8 t -58.72 -25.12 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.378 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -90.38 -19.82 23.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.519 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p -86.17 -27.15 24.74 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -65.53 -26.65 67.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.358 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.074 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.788 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.671 0.272 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.55 -54.8 41.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.302 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 3.8 p90 -61.16 -34.9 75.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.4 tt -54.66 -27.69 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 111.247 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.87 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.459 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.31 -57.17 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' H ' HD12 ' A' ' 32' ' ' LEU . 1.5 mp -59.84 -54.28 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 29' ' ' ILE . 88.8 t -54.24 -54.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.166 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.673 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -94.7 -71.08 0.68 Allowed 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 121.2 0.524 . . . . 0.0 111.352 178.573 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -84.07 -47.06 11.32 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.098 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 68.7 m-20 -45.57 -29.47 1.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.119 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.673 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 8.4 m -40.63 -43.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.031 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.472 ' N ' HG23 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -47.25 -26.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.245 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 m -73.11 -37.92 66.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.503 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CE1' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.15 -19.87 64.87 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.654 0.264 . . . . 0.0 110.926 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 19' ' ' TYR . 18.7 mt . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.907 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -59.13 -30.17 67.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.41 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -79.84 -43.09 23.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.907 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -49.76 -27.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -76.32 -31.72 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.47 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.84 -60.3 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.691 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -60.47 -47.79 84.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.097 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.551 ' N ' HD12 ' A' ' 32' ' ' LEU . 9.8 p -65.04 -23.95 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.966 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HG3' HG13 ' A' ' 33' ' ' VAL . 3.5 mtp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.908 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.42 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 62.1 p -50.14 -25.8 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.636 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -33.4 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.758 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -89.91 -38.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 12' ' ' PHE . 6.3 m -58.9 -19.55 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.678 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HD11 ' A' ' 20' ' ' LEU . 40.9 m -73.57 -19.86 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 t -90.42 -60.54 1.89 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 1.5 p90 -45.3 -36.96 4.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.683 0.278 . . . . 0.0 111.708 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.1 pp . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 111.108 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.92 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.714 0.292 . . . . 0.0 111.631 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.43 -21.8 17.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.445 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -72.93 -46.49 52.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 26' ' ' LYS . 6.2 tt -50.47 -26.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.631 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -19.89 49.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.558 ' CH2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.56 -39.71 36.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.342 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -90.02 -47.12 8.04 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.371 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 32' ' ' LEU . 92.4 t -59.41 -24.24 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 111.215 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.1 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -56.49 -43.53 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -89.4 -30.66 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.53 -26.64 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 12' ' ' PHE . 11.9 t -85.81 -19.95 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.49 ' O ' HD11 ' A' ' 20' ' ' LEU . 4.8 t -90.31 -21.29 22.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -90.56 -27.9 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -78.36 -19.85 52.54 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 111.502 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.825 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.2 tppm? . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -43.99 -29.64 0.61 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.524 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.7 p90 -60.31 -37.25 79.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.01 0.433 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.825 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -49.51 -26.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.811 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.64 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.344 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.31 -61.52 1.87 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.92 -19.39 60.56 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.792 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.419 ' N ' HD13 ' A' ' 32' ' ' LEU . 56.0 t -90.07 -22.9 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.66 ' O ' HG12 ' A' ' 16' ' ' VAL . 9.0 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -82.07 -41.33 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -60.09 -48.9 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.84 -51.42 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 12' ' ' PHE . 11.3 p -69.81 -19.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.404 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.573 ' HA ' HD21 ' A' ' 20' ' ' LEU . 40.5 t -81.13 -19.73 42.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -57.04 -44.17 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.842 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.07 -43.33 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.596 0.236 . . . . 0.0 111.426 -179.155 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 17' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.1 -29.9 0.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 111.048 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 5.0 p90 -57.57 -37.34 72.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.096 0.474 . . . . 0.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.765 HG22 ' O ' ' A' ' 26' ' ' LYS . 4.1 tt -53.65 -24.01 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.528 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.63 -24.01 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.85 -60.46 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 33' ' ' VAL . 1.3 pp -53.48 -22.53 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.971 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 32' ' ' LEU . 13.7 p -89.99 -39.59 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.29 . . . . 0.0 111.548 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.979 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.622 0.248 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.67 ' O ' HG12 ' A' ' 16' ' ' VAL . 24.1 p -45.53 -43.97 12.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.77 0.319 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -90.0 -36.03 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -66.16 -25.89 67.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.279 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 13' ' ' THR . 14.4 p -54.95 -22.86 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -90.32 -19.69 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.1 -35.89 19.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.48 -25.16 23.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.08 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.727 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.5 tppt? . . . . . 0 N--CA 1.463 0.189 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -42.74 -39.8 2.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.759 ' HD1' HD21 ' A' ' 32' ' ' LEU . 1.5 p90 -50.79 -40.03 54.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.179 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.3 tt -45.85 -26.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.955 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.92 64.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.906 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.735 ' CH2' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.64 -50.66 66.22 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.016 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.958 HD22 ' H ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -48.31 -67.63 0.25 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.473 0.654 . . . . 0.0 110.465 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 34' ' ' ARG . 12.8 p -50.26 -43.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.208 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' N ' HG13 ' A' ' 33' ' ' VAL . 2.4 mpt_? . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 16' ' ' VAL . 23.1 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -57.39 -69.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m -83.36 -23.28 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -29.91 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.128 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 12' ' ' PHE . 38.2 t -80.79 -66.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -26.57 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -63.81 -29.09 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.607 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -89.63 -29.12 19.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 111.08 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 2.9 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.858 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.82 -21.8 63.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 1.6 p90 -89.9 -38.57 13.61 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' O ' ' A' ' 26' ' ' LYS . 3.0 tt -45.59 -28.33 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.838 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB1' ' NH2' ' A' ' 34' ' ' ARG . . . -68.57 -26.23 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.467 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.766 ' CE3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -69.8 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.766 HD23 ' CE3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -63.64 -36.77 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.877 -178.648 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 29' ' ' ILE . 91.8 t -69.09 -26.32 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 110.969 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.67 ' NH2' ' HB1' ' A' ' 30' ' ' ALA . 12.7 mtm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 16' ' ' VAL . 18.6 t80 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -78.54 -32.45 47.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -87.56 -30.93 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.96 -35.68 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 12' ' ' PHE . 11.7 p -72.44 -46.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 16' ' ' VAL . 18.5 p -58.2 -19.96 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.287 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -29.2 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.815 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -84.15 -47.66 10.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.26 . . . . 0.0 111.427 -179.542 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.371 0.129 . . . . 0.0 110.678 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -51.88 -29.76 21.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.594 0.711 . . . . 0.0 109.14 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.908 ' CE1' ' CZ3' ' A' ' 31' ' ' TRP . 12.9 t80 -53.8 -71.5 0.07 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.312 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.686 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -45.9 -19.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.0 -20.31 38.72 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.908 ' CZ3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -74.54 -51.2 15.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.252 0.549 . . . . 0.0 111.387 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.686 ' CD1' ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -76.54 -19.04 58.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.734 -177.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 29' ' ' ILE . 76.7 t -84.83 -21.51 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 0.0 110.993 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 16' ' ' VAL . 48.4 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.749 0.309 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -48.11 -59.14 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -90.13 -40.04 12.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -48.1 -28.46 2.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 19' ' ' TYR . 13.6 t -81.34 -51.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.882 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 20' ' ' LEU . 3.1 m -50.03 -23.31 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -71.32 -33.34 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CE2' HG13 ' A' ' 16' ' ' VAL . 1.1 p90 -90.13 -50.17 6.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 17' ' ' SER . 1.3 pp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 111.161 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.867 ' O ' HG22 ' A' ' 29' ' ' ILE . 12.6 mmmt . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.584 0.23 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -42.87 -31.36 0.49 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.912 0.386 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -65.25 -40.29 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.134 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 33' ' ' VAL . 11.2 tt -49.0 -30.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.92 -24.39 57.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.641 ' CE3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -61.22 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -58.81 -33.64 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.316 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 29' ' ' ILE . 98.4 t -59.56 -25.85 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.852 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -49.3 -28.84 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.89 -42.91 15.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.97 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 12' ' ' PHE . 23.9 t -61.89 -62.72 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -49.62 -26.83 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.011 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -37.59 75.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 3.2 mp . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.813 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.59 0.233 . . . . 0.0 111.515 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -48.25 -43.64 32.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 111.404 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.912 ' CD2' HD11 ' A' ' 32' ' ' LEU . 4.1 p90 -46.11 -42.32 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 26' ' ' LYS . 11.4 tt -49.17 -26.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.895 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.4 -20.06 44.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.42 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.93 -52.16 8.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.103 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.912 HD11 ' CD2' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -56.57 -61.98 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.86 -25.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.5 p90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.686 0.279 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -42.36 -55.03 3.54 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -22.5 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.164 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 12' ' ' PHE . 62.1 t -55.6 -59.02 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.036 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.6 m -53.05 -24.06 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -37.56 83.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.368 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.707 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -81.11 -19.95 42.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.639 0.257 . . . . 0.0 111.146 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 19' ' ' TYR . 32.7 mt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.279 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.807 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.9 tppt? . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.91 -28.13 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.363 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' HD1' HD11 ' A' ' 32' ' ' LEU . 1.7 p90 -61.67 -36.54 81.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.807 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.1 tt -55.44 -19.75 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.941 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -19.65 65.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.634 0.254 . . . . 0.0 111.503 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.09 -63.88 1.24 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.724 ' H ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.25 -19.57 35.11 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 32' ' ' LEU . 25.2 t -82.16 -30.4 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.797 0.332 . . . . 0.0 110.674 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.905 ' O ' HG23 ' A' ' 16' ' ' VAL . 33.4 p90 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.609 0.242 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 14' ' ' SER . 5.4 t -45.25 -47.26 12.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 13' ' ' THR . 3.7 t -90.01 -27.09 19.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.65 -19.95 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.311 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 12' ' ' PHE . 85.5 t -49.19 -56.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.225 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.576 ' HA ' HD21 ' A' ' 20' ' ' LEU . 12.2 t -54.33 -21.64 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.488 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -62.59 -42.62 99.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.653 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.621 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.24 -46.62 82.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.639 0.257 . . . . 0.0 111.153 -179.463 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.621 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.893 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.793 0.33 . . . . 0.0 111.341 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -65.7 -46.46 78.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.893 HG22 ' O ' ' A' ' 26' ' ' LYS . 18.0 tt -47.5 -29.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.7 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -19.99 60.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.671 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -83.77 -58.59 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 111.503 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -72.75 -19.75 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.757 ' N ' HD23 ' A' ' 32' ' ' LEU . 7.7 p -75.16 -29.26 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.045 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.622 0.249 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.18 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.407 -179.626 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.493 ' H ' HG23 ' A' ' 13' ' ' THR . 1.3 p -90.34 -32.54 16.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.195 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -26.95 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.528 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.6 p -74.24 -46.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.481 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.577 ' HA ' HD13 ' A' ' 20' ' ' LEU . 1.5 p -60.17 -19.95 56.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.375 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.21 -49.84 68.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.749 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -58.95 -22.12 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.552 -179.098 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 17' ' ' SER . 2.7 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.874 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.36 -29.07 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.0 p90 -64.27 -41.91 96.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.874 HG22 ' O ' ' A' ' 26' ' ' LYS . 15.0 tt -48.49 -29.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.431 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.47 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -71.12 -59.78 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.1 pp -59.15 -40.98 87.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.222 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 29' ' ' ILE . 93.9 t -61.66 -28.39 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.025 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -57.77 -29.9 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.028 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -88.88 -30.46 18.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.22 -36.84 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 12' ' ' PHE . 22.5 m -70.05 -34.58 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -55.95 -20.45 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.18 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -77.3 -44.32 30.08 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -58.69 -27.52 64.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.701 0.286 . . . . 0.0 111.044 -179.392 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.856 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.892 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.04 -34.81 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.611 ' CE1' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -63.84 -36.69 84.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 26' ' ' LYS . 14.8 tt -56.69 -19.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.49 60.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.844 0.354 . . . . 0.0 110.643 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.05 -60.57 2.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.842 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.632 ' H ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.44 -19.52 63.58 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.595 -179.215 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.575 HG23 HD23 ' A' ' 32' ' ' LEU . 29.2 t -86.4 -21.08 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 4.6 ttm105 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.589 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.8 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.776 0.322 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -58.77 -43.28 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -88.68 -30.03 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 12' ' ' PHE . 14.5 p -80.61 -43.94 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.283 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 16' ' ' VAL . 3.0 p -57.66 -21.01 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -39.45 65.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.433 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -80.95 -31.12 35.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.035 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 17' ' ' SER . 2.6 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.01 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.727 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.445 0.164 . . . . 0.0 111.401 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -43.76 -32.12 0.96 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.101 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.491 ' CE1' HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -64.53 -42.15 95.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.739 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.5 tt -52.77 -30.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.558 ' HB1' ' NH2' ' A' ' 34' ' ' ARG . . . -66.6 -27.55 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.375 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -74.23 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.828 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.694 HD12 HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -58.86 -41.47 87.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.415 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.694 HG23 HD12 ' A' ' 32' ' ' LEU . 54.7 t -64.8 -28.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.706 0.289 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.558 ' NH2' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.763 0.316 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 p -60.63 -47.68 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -30.72 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -59.18 -39.79 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.488 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.7 p -68.63 -19.7 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -88.12 -19.81 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -75.63 -42.74 50.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.629 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -56.27 -23.4 36.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.743 0.306 . . . . 0.0 111.025 -179.439 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 19' ' ' TYR . 14.9 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.774 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -34.13 75.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 6.2 p90 -87.95 -38.17 15.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.744 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.04 -21.46 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.788 0.327 . . . . 0.0 111.25 -179.363 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.96 -19.81 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.239 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.653 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -89.81 -59.77 2.11 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.947 0.404 . . . . 0.0 111.607 -179.692 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -52.23 -20.55 2.71 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.419 -177.327 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.734 ' N ' HD13 ' A' ' 32' ' ' LEU . 53.4 t -90.34 -44.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.762 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.778 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.3 p90 . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.439 0.161 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 t -35.73 -36.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -90.21 -44.01 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.89 -19.59 65.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 12' ' ' PHE . 73.3 t -45.17 -25.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.44 ' O ' HD21 ' A' ' 20' ' ' LEU . 89.5 p -89.27 -31.85 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -90.93 -19.93 22.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.522 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -85.03 -21.49 29.41 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.355 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 1.3 pp . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.176 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.837 ' O ' HG22 ' A' ' 29' ' ' ILE . 4.5 mmpt? . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.666 0.27 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.82 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.372 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 32' ' ' LEU . 1.4 p90 -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.924 0.392 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.837 HG22 ' O ' ' A' ' 26' ' ' LYS . 11.3 tt -54.89 -31.54 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.386 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' HH11 ' A' ' 34' ' ' ARG . . . -60.48 -33.05 72.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.51 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.17 -67.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.04 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 33' ' ' VAL . 1.1 pp -56.19 -44.68 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.9 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.774 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.5 p -56.37 -37.72 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.457 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.527 HH11 ' HB1' ' A' ' 30' ' ' ALA . 6.3 mtt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.27 172.08 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.56 170.46 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.58 175.4 19.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.59 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.89 122.5 19.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.792 0.329 . . . . 0.0 110.551 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -169.95 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.455 ' C ' HG22 ' A' ' 16' ' ' VAL . 10.0 t -47.92 -33.36 7.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.27 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.17 -49.24 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.03 -31.2 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.222 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 12' ' ' PHE . 7.4 m -59.68 -19.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.507 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -19.77 23.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 p -90.02 -33.24 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.02 -29.23 42.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.79 -29.17 59.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -96.35 -27.26 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.113 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' LYS . . . 86.05 114.39 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.291 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.33 -78.89 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 111.386 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.41 38.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.709 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -54.29 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.491 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.916 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -46.65 -25.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.592 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -27.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.68 0.276 . . . . 0.0 111.334 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.1 p90 -72.07 -36.93 69.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 26' ' ' LYS . 13.9 tt -45.17 -29.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.542 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.41 -36.58 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.33 -61.78 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.733 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD12 HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -55.54 -54.21 46.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.325 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.619 HG23 HD12 ' A' ' 32' ' ' LEU . 96.4 t -56.44 -29.39 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -106.19 55.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.92 49.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -161.01 38.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.517 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.586 H263 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.95 170.14 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -169.91 143.3 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -169.89 45.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.86 139.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.809 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.1 p90 -138.71 -42.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.258 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.1 t -43.99 -38.96 3.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.446 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -26.64 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.92 -25.85 53.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 12' ' ' PHE . 40.2 t -53.43 -68.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -47.54 -26.74 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.372 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -64.92 -48.96 72.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.466 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.465 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -60.68 -29.14 69.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.751 0.31 . . . . 0.0 111.034 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.01 -76.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -147.72 -73.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 -128.2 30.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.643 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.58 -20.02 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.634 0.254 . . . . 0.0 111.267 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.62 31.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.859 0.361 . . . . 0.0 111.325 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB1' H061 ' A' 1038 ' ' D6M . . . -69.42 -38.29 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -26.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.606 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -46.16 -28.9 1.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.7 p90 -64.78 -37.34 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.519 ' HA ' HD21 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -56.09 -19.62 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.351 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.39 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.418 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.88 -62.38 1.51 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD13 ' H ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.1 -19.36 12.86 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.463 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG22 H241 ' A' 1038 ' ' D6M . 40.5 t -81.77 -20.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.899 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -112.39 78.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.94 -36.23 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.789 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -100.67 -177.71 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.971 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.365 -1.241 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.647 H241 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.86 140.94 51.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -93.92 119.6 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.97 179.67 16.81 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -152.9 165.8 34.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 13' ' ' THR . 31.7 p90 -111.07 -41.23 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 10.0 t -58.78 -40.35 83.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -76.58 -30.9 57.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.76 -44.2 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 17' ' ' SER . 11.9 p -71.96 -45.69 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.538 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -57.2 -20.28 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.335 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -28.03 37.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.83 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -73.67 -44.44 56.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.636 0.255 . . . . 0.0 111.148 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -86.97 119.3 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -174.63 121.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.37 179.51 19.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -23.62 37.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.57 63.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . . . -81.39 -20.04 41.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.728 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -67.77 -19.33 65.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 0.0 111.337 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 10.0 pt-20 -65.19 -48.47 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.682 ' CE2' ' C14' ' A' 1038 ' ' D6M . 0.0 OUTLIER -57.92 -19.55 30.84 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.1 tt -61.88 -19.78 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.994 0.426 . . . . 0.0 110.563 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.57 -41.14 22.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.8 -61.92 1.65 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 0.0 111.076 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.918 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.95 -28.36 9.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -177.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.724 HG22 H241 ' A' 1038 ' ' D6M . 22.3 t -89.67 -37.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.984 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.86 117.82 33.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.194 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.94 -34.18 5.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HD3' ' NE1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -97.04 148.81 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.495 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.724 H241 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.68 103.02 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -151.57 149.86 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.21 171.23 30.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.553 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -157.25 152.17 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.898 ' O ' HG23 ' A' ' 16' ' ' VAL . 6.5 p90 -135.3 -43.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -46.44 -29.27 1.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.366 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -76.94 -48.72 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -66.75 -29.97 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 12' ' ' PHE . 25.8 t -58.72 -25.12 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.378 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -90.38 -19.82 23.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.519 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p -86.17 -27.15 24.74 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -65.53 -26.65 67.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.358 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -83.11 -57.07 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.074 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 63.21 30.39 15.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.19 47.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -26.93 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.26 -32.72 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.337 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.555 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -90.16 -37.17 14.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.788 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.55 -19.81 27.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.21 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.55 -54.8 41.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.302 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 25' ' ' ALA . 3.8 p90 -61.16 -34.9 75.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.4 tt -54.66 -27.69 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 111.247 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.87 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.459 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.31 -57.17 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD23 ' HD2' ' A' ' 36' ' ' ARG . 1.5 mp -59.84 -54.28 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 29' ' ' ILE . 88.8 t -54.24 -54.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.166 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -59.76 -55.04 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.29 88.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.632 ' HD2' HD23 ' A' ' 32' ' ' LEU . 12.9 ttp85 -83.73 -48.92 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.497 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.622 H172 HD21 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.794 0.33 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.77 145.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -141.0 -173.07 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.01 142.37 36.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.516 ' HA ' ' CB ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -162.9 127.02 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.528 0.204 . . . . 0.0 111.165 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.673 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -163.71 -84.21 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.072 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -94.7 -71.08 0.68 Allowed 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 121.2 0.524 . . . . 0.0 111.352 178.573 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -84.07 -47.06 11.32 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.098 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' CB ' ' HA ' ' A' ' 11' ' ' THR . 68.7 m-20 -45.57 -29.47 1.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.119 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.673 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 8.4 m -40.63 -43.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.031 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.472 ' N ' HG23 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -47.25 -26.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.245 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 m -73.11 -37.92 66.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.503 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CE1' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.15 -19.87 64.87 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.654 0.264 . . . . 0.0 110.926 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 19' ' ' TYR . 18.7 mt -68.79 69.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -123.23 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.82 104.02 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -53.3 -28.1 26.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.98 -28.29 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.84 ' HB1' H062 ' A' 1038 ' ' D6M . . . -58.63 -36.21 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.907 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -90.36 -19.77 23.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -59.13 -30.17 67.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.41 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -79.84 -43.09 23.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.907 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -49.76 -27.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -76.32 -31.72 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.47 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.84 -60.3 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.691 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD13 H222 ' A' 1038 ' ' D6M . 1.0 OUTLIER -60.47 -47.79 84.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.097 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 H252 ' A' 1038 ' ' D6M . 9.8 p -65.04 -23.95 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.966 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HG3' HG13 ' A' ' 33' ' ' VAL . 3.5 mtp180 -110.3 -75.25 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TRP . . . -65.0 -88.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.541 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER 56.82 68.98 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.543 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.84 H062 ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.79 0.329 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 165.39 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.41 168.14 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.39 102.88 1.53 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -148.3 104.49 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -158.91 -59.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.42 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 62.1 p -50.14 -25.8 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.636 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -33.4 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.758 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -89.91 -38.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 12' ' ' PHE . 6.3 m -58.9 -19.55 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.678 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HD11 ' A' ' 20' ' ' LEU . 40.9 m -73.57 -19.86 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 t -90.42 -60.54 1.89 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 1.5 p90 -45.3 -36.96 4.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.683 0.278 . . . . 0.0 111.708 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.1 pp -53.43 152.88 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 111.108 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.26 160.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.9 -124.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.589 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -30.49 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 0.0 111.051 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.81 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.29 -57.51 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.92 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -43.83 -28.84 0.47 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.631 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.43 -21.8 17.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.445 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -72.93 -46.49 52.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 26' ' ' LYS . 6.2 tt -50.47 -26.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.631 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -19.89 49.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.558 ' CH2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.56 -39.71 36.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.342 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -90.02 -47.12 8.04 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.371 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 32' ' ' LEU . 92.4 t -59.41 -24.24 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 111.215 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 -112.12 44.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.43 -56.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.545 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -66.5 110.7 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.535 ' C22' HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.844 0.354 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.86 176.55 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.23 141.36 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.78 -170.63 43.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -82.82 -179.03 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.1 t80 -170.19 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -56.49 -43.53 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -89.4 -30.66 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.53 -26.64 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 12' ' ' PHE . 11.9 t -85.81 -19.95 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.49 ' O ' HD11 ' A' ' 20' ' ' LEU . 4.8 t -90.31 -21.29 22.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -90.56 -27.9 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -78.36 -19.85 52.54 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -80.57 -3.56 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 111.502 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 20' ' ' LEU . 6.0 tp10 69.06 -67.85 0.2 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.5 72.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -67.48 -29.87 69.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.46 58.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.26 -53.99 50.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.229 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.825 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.2 tppm? -38.74 -32.15 0.08 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.689 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -43.99 -29.64 0.61 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.524 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.7 p90 -60.31 -37.25 79.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.01 0.433 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.825 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -49.51 -26.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.811 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.64 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.344 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.31 -61.52 1.87 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.92 -19.39 60.56 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.792 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.419 ' N ' HD13 ' A' ' 32' ' ' LEU . 56.0 t -90.07 -22.9 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.04 70.86 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.26 94.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -131.03 34.75 4.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.389 -1.229 . . . . 0.0 112.457 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.725 ' C24' HD11 ' A' ' 29' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.85 95.87 7.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -117.49 170.11 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.28 103.26 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -133.74 141.67 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.66 ' O ' HG12 ' A' ' 16' ' ' VAL . 9.0 t80 -169.96 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -82.07 -41.33 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -60.09 -48.9 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.84 -51.42 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 12' ' ' PHE . 11.3 p -69.81 -19.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.404 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.573 ' HA ' HD21 ' A' ' 20' ' ' LEU . 40.5 t -81.13 -19.73 42.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -57.04 -44.17 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.842 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.07 -43.33 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.596 0.236 . . . . 0.0 111.426 -179.155 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -88.76 152.46 21.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -135.85 31.25 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.45 83.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -33.02 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.58 68.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.41 -48.95 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -42.44 -27.21 0.14 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.765 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.1 -29.9 0.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 111.048 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' CE1' H161 ' A' 1038 ' ' D6M . 5.0 p90 -57.57 -37.34 72.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.096 0.474 . . . . 0.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.765 HG22 ' O ' ' A' ' 26' ' ' LYS . 4.1 tt -53.65 -24.01 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.528 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.63 -24.01 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.85 -60.46 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 33' ' ' VAL . 1.3 pp -53.48 -22.53 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.971 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 32' ' ' LEU . 13.7 p -89.99 -39.59 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.29 . . . . 0.0 111.548 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -80.78 -45.47 16.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.979 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.07 96.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 ttp-105 -98.66 34.2 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.509 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.464 H252 HG23 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.78 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 159.75 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.49 -169.94 19.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 11' ' ' THR . 8.4 t -69.81 91.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.738 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.66 -35.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.39 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.67 ' O ' HG12 ' A' ' 16' ' ' VAL . 24.1 p -45.53 -43.97 12.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.77 0.319 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -90.0 -36.03 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -66.16 -25.89 67.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.279 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 13' ' ' THR . 14.4 p -54.95 -22.86 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -90.32 -19.69 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.1 -35.89 19.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.48 -25.16 23.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.08 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.38 141.08 20.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 64.03 16.59 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.274 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.79 94.74 0.01 OUTLIER Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -30.94 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.74 70.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.19 -59.47 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.727 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.5 tppt? -44.67 -26.54 0.39 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -42.74 -39.8 2.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.759 ' HD1' HD21 ' A' ' 32' ' ' LEU . 1.5 p90 -50.79 -40.03 54.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.179 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.3 tt -45.85 -26.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.955 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.92 64.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.906 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.735 ' CH2' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.64 -50.66 66.22 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.016 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.958 HD22 ' H ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -48.31 -67.63 0.25 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.473 0.654 . . . . 0.0 110.465 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.517 ' HB ' ' C24' ' A' 1038 ' ' D6M . 12.8 p -50.26 -43.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.208 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' N ' HG13 ' A' ' 33' ' ' VAL . 2.4 mpt_? -70.37 -28.74 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.79 85.49 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.574 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 -172.15 149.41 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.49 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.582 H161 ' CH2' ' A' ' 31' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.817 0.341 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.7 90.0 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.42 -175.86 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.9 175.35 21.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 165.24 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 16' ' ' VAL . 23.1 t80 -170.02 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -57.39 -69.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m -83.36 -23.28 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -29.91 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.128 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 12' ' ' PHE . 38.2 t -80.79 -66.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -26.57 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -63.81 -29.09 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.607 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -89.63 -29.12 19.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 111.08 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 2.9 mp -76.0 -84.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 169.6 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.932 0.396 . . . . 0.0 110.701 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.94 -163.73 37.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.97 -41.85 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.71 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.888 ' HB1' ' C05' ' A' 1038 ' ' D6M . . . -54.45 -41.2 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 111.231 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.858 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -90.18 -19.58 24.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.08 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.82 -21.8 63.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 1.6 p90 -89.9 -38.57 13.61 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' O ' ' A' ' 26' ' ' LYS . 3.0 tt -45.59 -28.33 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.838 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB1' ' NH2' ' A' ' 34' ' ' ARG . . . -68.57 -26.23 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.467 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.766 ' CE3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -69.8 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.766 HD23 ' CE3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -63.64 -36.77 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.877 -178.648 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 29' ' ' ILE . 91.8 t -69.09 -26.32 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 110.969 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.67 ' NH2' ' HB1' ' A' ' 30' ' ' ALA . 12.7 mtm-85 -82.72 58.58 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 -106.8 2.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.22 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.94 28.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.888 ' C05' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.821 0.344 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.79 109.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -81.59 115.71 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.63 102.35 1.86 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.73 169.2 20.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 16' ' ' VAL . 18.6 t80 -165.42 -50.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -78.54 -32.45 47.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -87.56 -30.93 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.96 -35.68 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 12' ' ' PHE . 11.7 p -72.44 -46.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 16' ' ' VAL . 18.5 p -58.2 -19.96 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.287 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -29.2 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.815 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -84.15 -47.66 10.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.26 . . . . 0.0 111.427 -179.542 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -71.62 153.1 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.61 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.68 -143.81 6.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.03 -40.67 96.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.41 44.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.358 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.837 ' HB1' H061 ' A' 1038 ' ' D6M . . . -57.04 -20.05 22.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.48 -52.42 6.51 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.678 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -51.88 -29.76 21.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.594 0.711 . . . . 0.0 109.14 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 1.005 ' CE2' H121 ' A' 1038 ' ' D6M . 12.9 t80 -53.8 -71.5 0.07 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.312 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.686 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -45.9 -19.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.0 -20.31 38.72 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.908 ' CZ3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -74.54 -51.2 15.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.252 0.549 . . . . 0.0 111.387 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.686 ' CD1' ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -76.54 -19.04 58.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.734 -177.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 29' ' ' ILE . 76.7 t -84.83 -21.51 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 0.0 110.993 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -51.73 5.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.59 -42.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.62 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 66.31 -73.52 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.545 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1038 ' ' D6M . . . . . 1.005 H121 ' CE2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.85 0.357 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.63 150.44 36.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.47 114.58 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.05 -169.92 7.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.731 HG23 ' HB2' ' A' ' 15' ' ' ASP . 7.4 t -69.83 -175.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.748 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 16' ' ' VAL . 48.4 t80 -170.12 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.043 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -48.11 -59.14 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -90.13 -40.04 12.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.731 ' HB2' HG23 ' A' ' 11' ' ' THR . 44.9 t0 -48.1 -28.46 2.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.827 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 19' ' ' TYR . 13.6 t -81.34 -51.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.882 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 20' ' ' LEU . 3.1 m -50.03 -23.31 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -71.32 -33.34 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CE2' HG13 ' A' ' 16' ' ' VAL . 1.1 p90 -90.13 -50.17 6.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 17' ' ' SER . 1.3 pp -55.07 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 111.161 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -135.44 -72.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.96 56.68 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.952 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -31.16 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.75 -59.7 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.356 . . . . 0.0 111.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 -45.97 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.867 ' O ' HG22 ' A' ' 29' ' ' ILE . 12.6 mmmt -50.03 -24.25 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -42.87 -31.36 0.49 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.912 0.386 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -65.25 -40.29 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.134 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 33' ' ' VAL . 11.2 tt -49.0 -30.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.92 -24.39 57.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.641 ' CE3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -61.22 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -58.81 -33.64 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.316 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 29' ' ' ILE . 98.4 t -59.56 -25.85 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -98.52 31.42 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 99.06 1.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.385 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -130.84 -70.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.469 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.537 H202 HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.54 165.23 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.35 139.44 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.21 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -103.83 90.28 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.852 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -137.12 -45.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -49.3 -28.84 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.89 -42.91 15.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.97 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 12' ' ' PHE . 23.9 t -61.89 -62.72 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -49.62 -26.83 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.011 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -37.59 75.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 3.2 mp -85.76 56.75 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.813 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.27 45.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.5 68.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.577 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -19.87 62.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.299 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' O ' ' HD1' ' A' ' 28' ' ' PHE . . . -82.09 -19.43 40.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.801 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -90.11 -19.97 23.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.59 0.233 . . . . 0.0 111.515 -179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -48.25 -43.64 32.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 111.404 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.912 ' CD2' HD11 ' A' ' 32' ' ' LEU . 4.1 p90 -46.11 -42.32 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 26' ' ' LYS . 11.4 tt -49.17 -26.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.895 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.4 -20.06 44.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.42 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.93 -52.16 8.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.103 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.925 HD13 ' C22' ' A' 1038 ' ' D6M . 0.6 OUTLIER -56.57 -61.98 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.577 HG23 H231 ' A' 1038 ' ' D6M . 41.0 t -54.86 -25.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -58.76 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.827 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.55 -114.06 2.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.415 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.415 HH11 HD23 ' A' ' 32' ' ' LEU . 10.7 ttt180 61.05 112.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.498 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.925 ' C22' HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.6 m170 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.12 -170.02 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.97 -177.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.16 105.78 0.68 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.608 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -142.06 157.85 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.5 p90 -132.52 -42.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.201 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -42.36 -55.03 3.54 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -22.5 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.164 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 12' ' ' PHE . 62.1 t -55.6 -59.02 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.036 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.6 m -53.05 -24.06 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -37.56 83.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.368 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.707 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -81.11 -19.95 42.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.639 0.257 . . . . 0.0 111.146 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 19' ' ' TYR . 32.7 mt -67.4 -13.17 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 44.04 83.18 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.932 0.396 . . . . 0.0 111.403 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 42.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -87.46 -28.32 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.65 -28.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -73.38 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.807 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.9 tppt? -45.81 -27.03 0.76 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.91 -28.13 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.363 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' HD1' HD11 ' A' ' 32' ' ' LEU . 1.7 p90 -61.67 -36.54 81.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.807 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.1 tt -55.44 -19.75 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.941 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -19.65 65.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.634 0.254 . . . . 0.0 111.503 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.09 -63.88 1.24 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.724 HD13 ' H ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.25 -19.57 35.11 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 32' ' ' LEU . 25.2 t -82.16 -30.4 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.797 0.332 . . . . 0.0 110.674 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 -78.76 -30.66 45.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.7 105.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.62 -62.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.51 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.54 ' C21' HD23 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.64 -175.64 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.48 175.01 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.86 107.47 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.583 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 11' ' ' THR . 3.4 t -147.05 89.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.905 ' O ' HG23 ' A' ' 16' ' ' VAL . 33.4 p90 -112.22 -26.25 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.203 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 14' ' ' SER . 5.4 t -45.25 -47.26 12.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 13' ' ' THR . 3.7 t -90.01 -27.09 19.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.65 -19.95 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.311 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 12' ' ' PHE . 85.5 t -49.19 -56.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.225 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.576 ' HA ' HD21 ' A' ' 20' ' ' LEU . 12.2 t -54.33 -21.64 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.488 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -62.59 -42.62 99.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.653 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.621 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.24 -46.62 82.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.639 0.257 . . . . 0.0 111.153 -179.463 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.621 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -78.18 101.35 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -58.3 -29.11 65.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.6 41.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.411 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -57.9 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.67 61.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.892 ' HB1' H052 ' A' 1038 ' ' D6M . . . -70.44 -76.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.893 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -44.62 -28.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.341 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -65.7 -46.46 78.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.893 HG22 ' O ' ' A' ' 26' ' ' LYS . 18.0 tt -47.5 -29.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.7 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -19.99 60.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.671 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -83.77 -58.59 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 111.503 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.87 HD21 H231 ' A' 1038 ' ' D6M . 0.4 OUTLIER -72.75 -19.75 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.757 ' N ' HD23 ' A' ' 32' ' ' LEU . 7.7 p -75.16 -29.26 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.045 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -86.56 55.46 3.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.82 81.63 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 9.3 ptt85 -85.68 120.82 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.553 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.892 H052 ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.72 99.57 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -77.11 -179.06 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.86 106.56 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.595 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.78 164.19 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -115.41 -24.7 8.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.18 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.407 -179.626 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.493 ' H ' HG23 ' A' ' 13' ' ' THR . 1.3 p -90.34 -32.54 16.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.195 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -26.95 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.528 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.6 p -74.24 -46.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.481 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.577 ' HA ' HD13 ' A' ' 20' ' ' LEU . 1.5 p -60.17 -19.95 56.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.375 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.21 -49.84 68.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.749 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -58.95 -22.12 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.552 -179.098 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 17' ' ' SER . 2.7 mp -79.92 126.71 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.25 55.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.13 -51.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.412 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -26.93 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.05 54.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.25 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.71 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.874 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -44.75 -27.56 0.52 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.684 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.36 -29.07 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.0 p90 -64.27 -41.91 96.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.874 HG22 ' O ' ' A' ' 26' ' ' LYS . 15.0 tt -48.49 -29.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.431 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.47 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -71.12 -59.78 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.1 pp -59.15 -40.98 87.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.222 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.775 HG22 H263 ' A' 1038 ' ' D6M . 93.9 t -61.66 -28.39 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -59.43 -48.84 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.52 -43.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.692 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HB3' ' CA ' ' A' ' 32' ' ' LEU . 1.9 ttt180 -56.59 107.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.442 -1.199 . . . . 0.0 112.484 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.775 H263 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.19 128.34 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.8 148.89 33.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.77 154.05 25.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.99 -174.68 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -149.21 -59.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -57.77 -29.9 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.028 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -88.88 -30.46 18.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.22 -36.84 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 12' ' ' PHE . 22.5 m -70.05 -34.58 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -55.95 -20.45 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.18 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -77.3 -44.32 30.08 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -58.69 -27.52 64.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.701 0.286 . . . . 0.0 111.044 -179.392 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -75.35 163.96 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -141.13 36.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 85.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.564 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.11 -39.46 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -19.87 59.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.411 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.806 ' HB1' H062 ' A' 1038 ' ' D6M . . . -75.69 -19.82 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.467 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.892 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.33 -19.56 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.623 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.04 -34.81 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.611 ' CE1' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -63.84 -36.69 84.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 26' ' ' LYS . 14.8 tt -56.69 -19.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.49 60.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.844 0.354 . . . . 0.0 110.643 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.05 -60.57 2.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.842 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD13 ' H ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.44 -19.52 63.58 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.595 -179.215 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.575 HG23 HD23 ' A' ' 32' ' ' LEU . 29.2 t -86.4 -21.08 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 4.6 ttm105 -107.15 84.01 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.964 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.01 -64.92 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.642 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -64.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.521 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.806 H062 ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 p80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.65 169.0 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.97 131.11 50.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.55 179.68 37.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.01 155.63 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.589 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.8 t80 -133.27 -46.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -58.77 -43.28 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -88.68 -30.03 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 12' ' ' PHE . 14.5 p -80.61 -43.94 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.283 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 16' ' ' VAL . 3.0 p -57.66 -21.01 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -39.45 65.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.433 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -80.95 -31.12 35.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.035 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 17' ' ' SER . 2.6 mp -69.01 -74.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.01 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -172.27 -49.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.16 75.71 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.376 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.87 -24.3 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.641 0.258 . . . . 0.0 111.427 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -57.31 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.418 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.79 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.727 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -49.46 -22.49 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.401 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -43.76 -32.12 0.96 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.101 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.491 ' CE1' HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -64.53 -42.15 95.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.739 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.758 HD11 H262 ' A' 1038 ' ' D6M . 1.5 tt -52.77 -30.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.558 ' HB1' ' NH2' ' A' ' 34' ' ' ARG . . . -66.6 -27.55 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.375 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -74.23 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.828 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.694 HD12 HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -58.86 -41.47 87.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.415 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG23 HD12 ' A' ' 32' ' ' LEU . 54.7 t -64.8 -28.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.706 0.289 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.558 ' NH2' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -58.99 -39.64 82.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.72 71.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.584 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -128.96 30.82 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.543 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.758 H262 HD11 ' A' ' 29' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.44 -171.35 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.22 131.21 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.91 155.66 22.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 15' ' ' ASP . 8.8 t -74.49 139.23 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -149.31 -49.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 p -60.63 -47.68 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -30.72 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.533 ' HB2' HG23 ' A' ' 11' ' ' THR . 40.8 t0 -59.18 -39.79 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.7 p -68.63 -19.7 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -88.12 -19.81 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -75.63 -42.74 50.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.629 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -56.27 -23.4 36.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.743 0.306 . . . . 0.0 111.025 -179.439 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 19' ' ' TYR . 14.9 mt -58.89 -162.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 72.8 79.44 0.14 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.67 -129.42 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -22.75 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.84 77.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.306 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB1' ' CE2' ' A' ' 28' ' ' PHE . . . -55.2 -24.6 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -66.27 -19.73 65.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.108 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -34.13 75.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 6.2 p90 -87.95 -38.17 15.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.744 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.04 -21.46 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.788 0.327 . . . . 0.0 111.25 -179.363 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.96 -19.81 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.239 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.653 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -89.81 -59.77 2.11 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.947 0.404 . . . . 0.0 111.607 -179.692 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -52.23 -20.55 2.71 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.419 -177.327 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.057 HG22 H263 ' A' 1038 ' ' D6M . 53.4 t -90.34 -44.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.762 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -56.64 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.778 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.03 -132.92 7.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 60.76 156.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.525 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1038 ' ' D6M . . . . . 1.057 H263 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.95 45.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -85.85 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.02 116.41 6.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.69 -170.86 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.3 p90 -170.15 -36.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.383 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 t -35.73 -36.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -90.21 -44.01 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.89 -19.59 65.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 12' ' ' PHE . 73.3 t -45.17 -25.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.44 ' O ' HD21 ' A' ' 20' ' ' LEU . 89.5 p -89.27 -31.85 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -90.93 -19.93 22.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.522 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -85.03 -21.49 29.41 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.355 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 1.3 pp -49.81 161.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.176 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 63.54 53.05 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.57 101.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.585 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -59.57 -26.46 65.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 111.201 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.95 -59.44 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.27 -46.35 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.837 ' O ' HG22 ' A' ' 29' ' ' ILE . 4.5 mmpt? -49.58 -24.37 2.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.256 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.82 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.372 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 32' ' ' LEU . 1.4 p90 -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.924 0.392 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.851 HD11 H263 ' A' 1038 ' ' D6M . 11.3 tt -54.89 -31.54 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.386 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' HH11 ' A' ' 34' ' ' ARG . . . -60.48 -33.05 72.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.51 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.17 -67.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.04 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.919 HD13 H201 ' A' 1038 ' ' D6M . 1.1 pp -56.19 -44.68 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.9 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.774 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.5 p -56.37 -37.72 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.457 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.527 HH11 ' HB1' ' A' ' 30' ' ' ALA . 6.3 mtt180 -100.37 -77.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 76.36 0.38 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -176.71 156.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.332 . . . . 0.0 110.76 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.557 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1038 ' ' D6M . . . . . 0.919 H201 HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.455 ' C ' HG22 ' A' ' 16' ' ' VAL . 10.0 t -47.92 -33.36 7.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.27 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.17 -49.24 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.03 -31.2 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.222 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 12' ' ' PHE . 7.4 m -59.68 -19.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.507 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -19.77 23.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 p -90.02 -33.24 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.02 -29.23 42.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.916 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -27.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.68 0.276 . . . . 0.0 111.334 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.1 p90 -72.07 -36.93 69.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 26' ' ' LYS . 13.9 tt -45.17 -29.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.542 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.41 -36.58 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.33 -61.78 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.733 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.619 HD12 HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -55.54 -54.21 46.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.325 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.619 HG23 HD12 ' A' ' 32' ' ' LEU . 96.4 t -56.44 -29.39 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.1 p90 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.652 0.263 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.1 t -43.99 -38.96 3.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.446 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -26.64 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.92 -25.85 53.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 12' ' ' PHE . 40.2 t -53.43 -68.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -47.54 -26.74 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.372 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -64.92 -48.96 72.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.466 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.465 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -60.68 -29.14 69.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.751 0.31 . . . . 0.0 111.034 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.61 0.243 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -46.16 -28.9 1.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.7 p90 -64.78 -37.34 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.519 ' HA ' HD21 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -56.09 -19.62 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.351 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.39 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.418 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.88 -62.38 1.51 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD13 ' H ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.1 -19.36 12.86 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.463 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG23 ' CD2' ' A' ' 32' ' ' LEU . 40.5 t -81.77 -20.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.899 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 13' ' ' THR . 31.7 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 10.0 t -58.78 -40.35 83.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -76.58 -30.9 57.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.76 -44.2 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 17' ' ' SER . 11.9 p -71.96 -45.69 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.538 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -57.2 -20.28 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.335 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -28.03 37.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.83 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -73.67 -44.44 56.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.636 0.255 . . . . 0.0 111.148 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.728 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.762 0.315 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 10.0 pt-20 -65.19 -48.47 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.92 -19.55 30.84 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.1 tt -61.88 -19.78 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.994 0.426 . . . . 0.0 110.563 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.57 -41.14 22.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.8 -61.92 1.65 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 0.0 111.076 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.918 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.95 -28.36 9.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -177.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.646 ' N ' HD13 ' A' ' 32' ' ' LEU . 22.3 t -89.67 -37.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.984 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.194 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.898 ' O ' HG23 ' A' ' 16' ' ' VAL . 6.5 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.701 0.286 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -46.44 -29.27 1.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.366 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -76.94 -48.72 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -66.75 -29.97 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 12' ' ' PHE . 25.8 t -58.72 -25.12 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.378 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -90.38 -19.82 23.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.519 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p -86.17 -27.15 24.74 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -65.53 -26.65 67.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.358 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.074 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.788 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.671 0.272 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.55 -54.8 41.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.302 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 3.8 p90 -61.16 -34.9 75.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.4 tt -54.66 -27.69 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 111.247 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.87 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.459 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.31 -57.17 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' H ' HD12 ' A' ' 32' ' ' LEU . 1.5 mp -59.84 -54.28 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 29' ' ' ILE . 88.8 t -54.24 -54.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.166 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.673 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -94.7 -71.08 0.68 Allowed 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 121.2 0.524 . . . . 0.0 111.352 178.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -84.07 -47.06 11.32 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.098 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 68.7 m-20 -45.57 -29.47 1.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.119 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.673 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 8.4 m -40.63 -43.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.031 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.472 ' N ' HG23 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -47.25 -26.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.245 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 m -73.11 -37.92 66.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.503 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CE1' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.15 -19.87 64.87 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.654 0.264 . . . . 0.0 110.926 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 19' ' ' TYR . 18.7 mt . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.907 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -59.13 -30.17 67.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.41 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -79.84 -43.09 23.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.907 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -49.76 -27.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -76.32 -31.72 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.47 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.84 -60.3 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.691 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -60.47 -47.79 84.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.097 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.551 ' N ' HD12 ' A' ' 32' ' ' LEU . 9.8 p -65.04 -23.95 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.966 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HG3' HG13 ' A' ' 33' ' ' VAL . 3.5 mtp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.908 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.42 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 62.1 p -50.14 -25.8 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.636 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -33.4 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.758 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -89.91 -38.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 12' ' ' PHE . 6.3 m -58.9 -19.55 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.678 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HD11 ' A' ' 20' ' ' LEU . 40.9 m -73.57 -19.86 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 t -90.42 -60.54 1.89 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 1.5 p90 -45.3 -36.96 4.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.683 0.278 . . . . 0.0 111.708 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.1 pp . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 111.108 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.92 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.714 0.292 . . . . 0.0 111.631 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.43 -21.8 17.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.445 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -72.93 -46.49 52.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 26' ' ' LYS . 6.2 tt -50.47 -26.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.631 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -19.89 49.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.558 ' CH2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.56 -39.71 36.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.342 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -90.02 -47.12 8.04 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.371 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 32' ' ' LEU . 92.4 t -59.41 -24.24 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 111.215 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.1 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -56.49 -43.53 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -89.4 -30.66 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.53 -26.64 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 12' ' ' PHE . 11.9 t -85.81 -19.95 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.49 ' O ' HD11 ' A' ' 20' ' ' LEU . 4.8 t -90.31 -21.29 22.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -90.56 -27.9 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -78.36 -19.85 52.54 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 111.502 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.825 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.2 tppm? . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -43.99 -29.64 0.61 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.524 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.7 p90 -60.31 -37.25 79.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.01 0.433 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.825 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -49.51 -26.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.811 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.64 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.344 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.31 -61.52 1.87 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.92 -19.39 60.56 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.419 ' N ' HD13 ' A' ' 32' ' ' LEU . 56.0 t -90.07 -22.9 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.66 ' O ' HG12 ' A' ' 16' ' ' VAL . 9.0 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -82.07 -41.33 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -60.09 -48.9 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.84 -51.42 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 12' ' ' PHE . 11.3 p -69.81 -19.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.404 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.573 ' HA ' HD21 ' A' ' 20' ' ' LEU . 40.5 t -81.13 -19.73 42.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -57.04 -44.17 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.842 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.07 -43.33 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.596 0.236 . . . . 0.0 111.426 -179.155 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 17' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.1 -29.9 0.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 111.048 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 5.0 p90 -57.57 -37.34 72.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.096 0.474 . . . . 0.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.765 HG22 ' O ' ' A' ' 26' ' ' LYS . 4.1 tt -53.65 -24.01 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.528 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.63 -24.01 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.85 -60.46 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 33' ' ' VAL . 1.3 pp -53.48 -22.53 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.971 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 32' ' ' LEU . 13.7 p -89.99 -39.59 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.29 . . . . 0.0 111.548 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.979 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.622 0.248 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.67 ' O ' HG12 ' A' ' 16' ' ' VAL . 24.1 p -45.53 -43.97 12.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.77 0.319 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -90.0 -36.03 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -66.16 -25.89 67.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.279 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 13' ' ' THR . 14.4 p -54.95 -22.86 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -90.32 -19.69 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.1 -35.89 19.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.48 -25.16 23.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.08 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.727 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.5 tppt? . . . . . 0 N--CA 1.463 0.189 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -42.74 -39.8 2.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.759 ' HD1' HD21 ' A' ' 32' ' ' LEU . 1.5 p90 -50.79 -40.03 54.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.179 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.3 tt -45.85 -26.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.955 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.92 64.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.906 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.735 ' CH2' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.64 -50.66 66.22 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.958 HD22 ' H ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -48.31 -67.63 0.25 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.473 0.654 . . . . 0.0 110.465 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 34' ' ' ARG . 12.8 p -50.26 -43.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.208 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' N ' HG13 ' A' ' 33' ' ' VAL . 2.4 mpt_? . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 16' ' ' VAL . 23.1 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -57.39 -69.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m -83.36 -23.28 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -29.91 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.128 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 12' ' ' PHE . 38.2 t -80.79 -66.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -26.57 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -63.81 -29.09 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.607 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -89.63 -29.12 19.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 111.08 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 2.9 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.858 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.82 -21.8 63.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 1.6 p90 -89.9 -38.57 13.61 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' O ' ' A' ' 26' ' ' LYS . 3.0 tt -45.59 -28.33 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.838 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB1' ' NH2' ' A' ' 34' ' ' ARG . . . -68.57 -26.23 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.467 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.766 ' CE3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -69.8 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.766 HD23 ' CE3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -63.64 -36.77 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.877 -178.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 29' ' ' ILE . 91.8 t -69.09 -26.32 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 110.969 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.67 ' NH2' ' HB1' ' A' ' 30' ' ' ALA . 12.7 mtm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 16' ' ' VAL . 18.6 t80 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -78.54 -32.45 47.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -87.56 -30.93 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.96 -35.68 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 12' ' ' PHE . 11.7 p -72.44 -46.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 16' ' ' VAL . 18.5 p -58.2 -19.96 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.287 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -29.2 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.815 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -84.15 -47.66 10.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.26 . . . . 0.0 111.427 -179.542 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.371 0.129 . . . . 0.0 110.678 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -51.88 -29.76 21.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.594 0.711 . . . . 0.0 109.14 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.908 ' CE1' ' CZ3' ' A' ' 31' ' ' TRP . 12.9 t80 -53.8 -71.5 0.07 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.312 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.686 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -45.9 -19.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.0 -20.31 38.72 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.908 ' CZ3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -74.54 -51.2 15.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.252 0.549 . . . . 0.0 111.387 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.686 ' CD1' ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -76.54 -19.04 58.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.734 -177.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 29' ' ' ILE . 76.7 t -84.83 -21.51 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 0.0 110.993 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 16' ' ' VAL . 48.4 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.749 0.309 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -48.11 -59.14 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -90.13 -40.04 12.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -48.1 -28.46 2.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 19' ' ' TYR . 13.6 t -81.34 -51.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.882 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 20' ' ' LEU . 3.1 m -50.03 -23.31 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -71.32 -33.34 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CE2' HG13 ' A' ' 16' ' ' VAL . 1.1 p90 -90.13 -50.17 6.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 17' ' ' SER . 1.3 pp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 111.161 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.867 ' O ' HG22 ' A' ' 29' ' ' ILE . 12.6 mmmt . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.584 0.23 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -42.87 -31.36 0.49 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.912 0.386 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -65.25 -40.29 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.134 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 33' ' ' VAL . 11.2 tt -49.0 -30.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.92 -24.39 57.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.641 ' CE3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -61.22 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -58.81 -33.64 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.316 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 29' ' ' ILE . 98.4 t -59.56 -25.85 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.852 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -49.3 -28.84 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.89 -42.91 15.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.97 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 12' ' ' PHE . 23.9 t -61.89 -62.72 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -49.62 -26.83 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.011 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -37.59 75.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 3.2 mp . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.813 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.59 0.233 . . . . 0.0 111.515 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -48.25 -43.64 32.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 111.404 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.912 ' CD2' HD11 ' A' ' 32' ' ' LEU . 4.1 p90 -46.11 -42.32 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 26' ' ' LYS . 11.4 tt -49.17 -26.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.895 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.4 -20.06 44.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.42 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.93 -52.16 8.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.103 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.912 HD11 ' CD2' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -56.57 -61.98 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.86 -25.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.827 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.5 p90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.686 0.279 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -42.36 -55.03 3.54 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -22.5 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.164 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 12' ' ' PHE . 62.1 t -55.6 -59.02 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.036 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.6 m -53.05 -24.06 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -37.56 83.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.368 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.707 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -81.11 -19.95 42.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.639 0.257 . . . . 0.0 111.146 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 19' ' ' TYR . 32.7 mt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.279 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.807 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.9 tppt? . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.91 -28.13 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.363 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' HD1' HD11 ' A' ' 32' ' ' LEU . 1.7 p90 -61.67 -36.54 81.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.807 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.1 tt -55.44 -19.75 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.941 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -19.65 65.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.634 0.254 . . . . 0.0 111.503 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.09 -63.88 1.24 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.724 ' H ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.25 -19.57 35.11 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 32' ' ' LEU . 25.2 t -82.16 -30.4 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.797 0.332 . . . . 0.0 110.674 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.905 ' O ' HG23 ' A' ' 16' ' ' VAL . 33.4 p90 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.609 0.242 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 14' ' ' SER . 5.4 t -45.25 -47.26 12.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 13' ' ' THR . 3.7 t -90.01 -27.09 19.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.65 -19.95 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.311 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 12' ' ' PHE . 85.5 t -49.19 -56.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.225 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.576 ' HA ' HD21 ' A' ' 20' ' ' LEU . 12.2 t -54.33 -21.64 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.488 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -62.59 -42.62 99.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.653 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.621 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.24 -46.62 82.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.639 0.257 . . . . 0.0 111.153 -179.463 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.621 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.893 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.793 0.33 . . . . 0.0 111.341 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -65.7 -46.46 78.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.893 HG22 ' O ' ' A' ' 26' ' ' LYS . 18.0 tt -47.5 -29.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.7 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -19.99 60.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.671 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -83.77 -58.59 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 111.503 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -72.75 -19.75 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.757 ' N ' HD23 ' A' ' 32' ' ' LEU . 7.7 p -75.16 -29.26 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.045 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.622 0.249 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.18 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.407 -179.626 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.493 ' H ' HG23 ' A' ' 13' ' ' THR . 1.3 p -90.34 -32.54 16.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.195 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -26.95 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.528 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.6 p -74.24 -46.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.481 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.577 ' HA ' HD13 ' A' ' 20' ' ' LEU . 1.5 p -60.17 -19.95 56.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.375 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.21 -49.84 68.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.749 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -58.95 -22.12 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.552 -179.098 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 17' ' ' SER . 2.7 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.874 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.36 -29.07 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.0 p90 -64.27 -41.91 96.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.874 HG22 ' O ' ' A' ' 26' ' ' LYS . 15.0 tt -48.49 -29.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.431 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.47 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -71.12 -59.78 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.1 pp -59.15 -40.98 87.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.222 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 29' ' ' ILE . 93.9 t -61.66 -28.39 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.025 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -57.77 -29.9 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.028 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -88.88 -30.46 18.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.22 -36.84 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 12' ' ' PHE . 22.5 m -70.05 -34.58 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -55.95 -20.45 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.18 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -77.3 -44.32 30.08 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -58.69 -27.52 64.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.701 0.286 . . . . 0.0 111.044 -179.392 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.856 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.892 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.04 -34.81 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.611 ' CE1' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -63.84 -36.69 84.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 26' ' ' LYS . 14.8 tt -56.69 -19.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.49 60.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.844 0.354 . . . . 0.0 110.643 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.05 -60.57 2.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.842 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.632 ' H ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.44 -19.52 63.58 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.595 -179.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.575 HG23 HD23 ' A' ' 32' ' ' LEU . 29.2 t -86.4 -21.08 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 4.6 ttm105 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.589 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.8 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.776 0.322 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -58.77 -43.28 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -88.68 -30.03 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 12' ' ' PHE . 14.5 p -80.61 -43.94 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.283 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 16' ' ' VAL . 3.0 p -57.66 -21.01 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -39.45 65.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.433 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -80.95 -31.12 35.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.035 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 17' ' ' SER . 2.6 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.01 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.727 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.445 0.164 . . . . 0.0 111.401 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -43.76 -32.12 0.96 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.101 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.491 ' CE1' HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -64.53 -42.15 95.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.739 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.5 tt -52.77 -30.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.558 ' HB1' ' NH2' ' A' ' 34' ' ' ARG . . . -66.6 -27.55 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.375 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -74.23 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.828 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.694 HD12 HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -58.86 -41.47 87.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.415 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.694 HG23 HD12 ' A' ' 32' ' ' LEU . 54.7 t -64.8 -28.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.706 0.289 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.558 ' NH2' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.763 0.316 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 p -60.63 -47.68 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -30.72 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -59.18 -39.79 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.488 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.7 p -68.63 -19.7 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -88.12 -19.81 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -75.63 -42.74 50.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.629 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -56.27 -23.4 36.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.743 0.306 . . . . 0.0 111.025 -179.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 19' ' ' TYR . 14.9 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.774 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -34.13 75.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 6.2 p90 -87.95 -38.17 15.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.744 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.04 -21.46 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.788 0.327 . . . . 0.0 111.25 -179.363 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.96 -19.81 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.239 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.653 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -89.81 -59.77 2.11 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.947 0.404 . . . . 0.0 111.607 -179.692 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -52.23 -20.55 2.71 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.419 -177.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.734 ' N ' HD13 ' A' ' 32' ' ' LEU . 53.4 t -90.34 -44.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.762 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.778 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.3 p90 . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.439 0.161 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 t -35.73 -36.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -90.21 -44.01 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.89 -19.59 65.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 12' ' ' PHE . 73.3 t -45.17 -25.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.44 ' O ' HD21 ' A' ' 20' ' ' LEU . 89.5 p -89.27 -31.85 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -90.93 -19.93 22.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.522 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -85.03 -21.49 29.41 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 1.3 pp . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.176 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.837 ' O ' HG22 ' A' ' 29' ' ' ILE . 4.5 mmpt? . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.666 0.27 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.82 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.372 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 32' ' ' LEU . 1.4 p90 -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.924 0.392 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.837 HG22 ' O ' ' A' ' 26' ' ' LYS . 11.3 tt -54.89 -31.54 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.386 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' HH11 ' A' ' 34' ' ' ARG . . . -60.48 -33.05 72.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.51 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.17 -67.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.04 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 33' ' ' VAL . 1.1 pp -56.19 -44.68 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.9 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.774 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.5 p -56.37 -37.72 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.457 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.527 HH11 ' HB1' ' A' ' 30' ' ' ALA . 6.3 mtt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.27 172.08 12.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.56 170.46 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.58 175.4 19.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.59 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.89 122.5 19.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.792 0.329 . . . . 0.0 110.551 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -169.95 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.455 ' C ' HG22 ' A' ' 16' ' ' VAL . 10.0 t -47.92 -33.36 7.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.27 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.17 -49.24 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.03 -31.2 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.222 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 12' ' ' PHE . 7.4 m -59.68 -19.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.507 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -19.77 23.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 p -90.02 -33.24 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.02 -29.23 42.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 111.082 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.79 -29.17 59.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -96.35 -27.26 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.113 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' LYS . . . 86.05 114.39 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.291 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.33 -78.89 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 111.386 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.41 38.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.709 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -54.29 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.491 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.916 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -46.65 -25.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.592 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -27.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.68 0.276 . . . . 0.0 111.334 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.1 p90 -72.07 -36.93 69.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 26' ' ' LYS . 13.9 tt -45.17 -29.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.542 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.41 -36.58 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.33 -61.78 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.733 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD12 HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -55.54 -54.21 46.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.325 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.619 HG23 HD12 ' A' ' 32' ' ' LEU . 96.4 t -56.44 -29.39 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -106.19 55.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.92 49.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -161.01 38.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.517 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.586 H263 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.95 170.14 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -169.91 143.3 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.41 -169.89 45.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.86 139.58 53.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.809 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.1 p90 -138.71 -42.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.258 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.1 t -43.99 -38.96 3.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.446 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -26.64 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.92 -25.85 53.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 12' ' ' PHE . 40.2 t -53.43 -68.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -47.54 -26.74 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.372 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -64.92 -48.96 72.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.466 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.465 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -60.68 -29.14 69.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.751 0.31 . . . . 0.0 111.034 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.01 -76.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -147.72 -73.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 -128.2 30.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.643 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.58 -20.02 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.634 0.254 . . . . 0.0 111.267 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.62 31.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.859 0.361 . . . . 0.0 111.325 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB1' H061 ' A' 1038 ' ' D6M . . . -69.42 -38.29 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.57 -26.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.606 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -46.16 -28.9 1.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.7 p90 -64.78 -37.34 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.519 ' HA ' HD21 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -56.09 -19.62 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.351 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.39 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.418 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.88 -62.38 1.51 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD13 ' H ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.1 -19.36 12.86 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.463 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG22 H241 ' A' 1038 ' ' D6M . 40.5 t -81.77 -20.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.899 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -112.39 78.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.94 -36.23 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.789 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -100.67 -177.71 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.971 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.365 -1.241 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.647 H241 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.86 140.94 51.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -93.92 119.6 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.97 179.67 16.81 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -152.9 165.8 34.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 13' ' ' THR . 31.7 p90 -111.07 -41.23 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 10.0 t -58.78 -40.35 83.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -76.58 -30.9 57.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.76 -44.2 82.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 17' ' ' SER . 11.9 p -71.96 -45.69 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.538 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -57.2 -20.28 25.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.335 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -28.03 37.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.83 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -73.67 -44.44 56.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.636 0.255 . . . . 0.0 111.148 -179.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -86.97 119.3 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -174.63 121.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.37 179.51 19.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -23.62 37.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.57 63.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . . . -81.39 -20.04 41.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.728 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -67.77 -19.33 65.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 0.0 111.337 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 10.0 pt-20 -65.19 -48.47 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.682 ' CE2' ' C14' ' A' 1038 ' ' D6M . 0.0 OUTLIER -57.92 -19.55 30.84 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.1 tt -61.88 -19.78 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.994 0.426 . . . . 0.0 110.563 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.57 -41.14 22.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.8 -61.92 1.65 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 0.0 111.076 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.918 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.95 -28.36 9.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -177.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.724 HG22 H241 ' A' 1038 ' ' D6M . 22.3 t -89.67 -37.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.984 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.86 117.82 33.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.194 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.94 -34.18 5.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HD3' ' NE1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -97.04 148.81 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.495 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.724 H241 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.68 103.02 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -151.57 149.86 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.21 171.23 30.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.553 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -157.25 152.17 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.898 ' O ' HG23 ' A' ' 16' ' ' VAL . 6.5 p90 -135.3 -43.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -46.44 -29.27 1.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.366 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -76.94 -48.72 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -66.75 -29.97 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 12' ' ' PHE . 25.8 t -58.72 -25.12 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.378 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -90.38 -19.82 23.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.519 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 p -86.17 -27.15 24.74 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -65.53 -26.65 67.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.358 -179.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -83.11 -57.07 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.074 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 63.21 30.39 15.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.19 47.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -26.93 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.26 -32.72 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.337 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.555 ' O ' ' CD2' ' A' ' 28' ' ' PHE . . . -90.16 -37.17 14.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.788 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.55 -19.81 27.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.21 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.55 -54.8 41.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.302 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 25' ' ' ALA . 3.8 p90 -61.16 -34.9 75.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.125 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.4 tt -54.66 -27.69 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 111.247 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.87 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.459 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -56.31 -57.17 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD23 ' HD2' ' A' ' 36' ' ' ARG . 1.5 mp -59.84 -54.28 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 29' ' ' ILE . 88.8 t -54.24 -54.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.166 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -59.76 -55.04 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.29 88.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.632 ' HD2' HD23 ' A' ' 32' ' ' LEU . 12.9 ttp85 -83.73 -48.92 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.497 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.622 H172 HD21 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.794 0.33 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.77 145.75 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -141.0 -173.07 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.01 142.37 36.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.516 ' HA ' ' CB ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -162.9 127.02 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.528 0.204 . . . . 0.0 111.165 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.673 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -163.71 -84.21 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -94.7 -71.08 0.68 Allowed 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 121.2 0.524 . . . . 0.0 111.352 178.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m -84.07 -47.06 11.32 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.098 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' CB ' ' HA ' ' A' ' 11' ' ' THR . 68.7 m-20 -45.57 -29.47 1.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.119 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.673 ' CG1' ' O ' ' A' ' 12' ' ' PHE . 8.4 m -40.63 -43.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.031 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.472 ' N ' HG23 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -47.25 -26.24 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.245 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 m -73.11 -37.92 66.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.503 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CE1' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.15 -19.87 64.87 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.654 0.264 . . . . 0.0 110.926 -179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 19' ' ' TYR . 18.7 mt -68.79 69.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -123.23 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.82 104.02 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.401 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -53.3 -28.1 26.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.98 -28.29 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.84 ' HB1' H062 ' A' 1038 ' ' D6M . . . -58.63 -36.21 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.907 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -90.36 -19.77 23.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -59.13 -30.17 67.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.41 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -79.84 -43.09 23.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.907 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -49.76 -27.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.835 0.35 . . . . 0.0 111.347 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -76.32 -31.72 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.47 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.84 -60.3 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.691 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD13 H222 ' A' 1038 ' ' D6M . 1.0 OUTLIER -60.47 -47.79 84.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.097 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 H252 ' A' 1038 ' ' D6M . 9.8 p -65.04 -23.95 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.966 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HG3' HG13 ' A' ' 33' ' ' VAL . 3.5 mtp180 -110.3 -75.25 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TRP . . . -65.0 -88.77 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.541 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' HB2' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER 56.82 68.98 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.543 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.84 H062 ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.79 0.329 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.1 165.39 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.41 168.14 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.39 102.88 1.53 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -148.3 104.49 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -158.91 -59.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.42 ' HA ' ' CG2' ' A' ' 16' ' ' VAL . 62.1 p -50.14 -25.8 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.636 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -33.4 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.758 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -89.91 -38.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 12' ' ' PHE . 6.3 m -58.9 -19.55 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.678 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HD11 ' A' ' 20' ' ' LEU . 40.9 m -73.57 -19.86 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 t -90.42 -60.54 1.89 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 1.5 p90 -45.3 -36.96 4.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.683 0.278 . . . . 0.0 111.708 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.1 pp -53.43 152.88 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 111.108 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.26 160.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.9 -124.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.589 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -30.49 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 0.0 111.051 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.81 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.29 -57.51 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.92 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -43.83 -28.84 0.47 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.631 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.43 -21.8 17.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.445 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -72.93 -46.49 52.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 26' ' ' LYS . 6.2 tt -50.47 -26.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.631 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -19.89 49.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.558 ' CH2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.56 -39.71 36.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.342 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -90.02 -47.12 8.04 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.371 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 32' ' ' LEU . 92.4 t -59.41 -24.24 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 111.215 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 -112.12 44.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.43 -56.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.545 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -66.5 110.7 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.535 ' C22' HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.844 0.354 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.86 176.55 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.23 141.36 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.78 -170.63 43.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -82.82 -179.03 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.1 t80 -170.19 -41.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -56.49 -43.53 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -89.4 -30.66 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.53 -26.64 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 12' ' ' PHE . 11.9 t -85.81 -19.95 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.49 ' O ' HD11 ' A' ' 20' ' ' LEU . 4.8 t -90.31 -21.29 22.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -90.56 -27.9 18.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -78.36 -19.85 52.54 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -80.57 -3.56 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.576 0.227 . . . . 0.0 111.502 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 20' ' ' LEU . 6.0 tp10 69.06 -67.85 0.2 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.5 72.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -67.48 -29.87 69.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.46 58.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.26 -53.99 50.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.229 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.825 ' O ' HG22 ' A' ' 29' ' ' ILE . 2.2 tppm? -38.74 -32.15 0.08 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.689 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -43.99 -29.64 0.61 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.524 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.7 p90 -60.31 -37.25 79.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.01 0.433 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.825 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -49.51 -26.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.811 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.1 -19.64 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.344 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.31 -61.52 1.87 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.92 -19.39 60.56 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.419 ' N ' HD13 ' A' ' 32' ' ' LEU . 56.0 t -90.07 -22.9 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.191 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.04 70.86 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.26 94.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -131.03 34.75 4.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.389 -1.229 . . . . 0.0 112.457 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.725 ' C24' HD11 ' A' ' 29' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.85 95.87 7.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -117.49 170.11 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.28 103.26 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -133.74 141.67 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.66 ' O ' HG12 ' A' ' 16' ' ' VAL . 9.0 t80 -169.96 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -82.07 -41.33 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -60.09 -48.9 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.84 -51.42 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 12' ' ' PHE . 11.3 p -69.81 -19.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.404 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.573 ' HA ' HD21 ' A' ' 20' ' ' LEU . 40.5 t -81.13 -19.73 42.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -57.04 -44.17 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.842 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.07 -43.33 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.596 0.236 . . . . 0.0 111.426 -179.155 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -88.76 152.46 21.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -135.85 31.25 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.45 83.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -33.02 74.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -31.58 68.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.41 -48.95 9.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -42.44 -27.21 0.14 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.765 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.1 -29.9 0.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 111.048 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' CE1' H161 ' A' 1038 ' ' D6M . 5.0 p90 -57.57 -37.34 72.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.096 0.474 . . . . 0.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.765 HG22 ' O ' ' A' ' 26' ' ' LYS . 4.1 tt -53.65 -24.01 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.528 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.63 -24.01 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.85 -60.46 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 33' ' ' VAL . 1.3 pp -53.48 -22.53 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.971 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 32' ' ' LEU . 13.7 p -89.99 -39.59 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.29 . . . . 0.0 111.548 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -80.78 -45.47 16.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.979 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.07 96.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 ttp-105 -98.66 34.2 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.509 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.464 H252 HG23 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.854 0.359 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.78 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 159.75 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.49 -169.94 19.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 11' ' ' THR . 8.4 t -69.81 91.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.738 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.66 -35.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.39 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.67 ' O ' HG12 ' A' ' 16' ' ' VAL . 24.1 p -45.53 -43.97 12.3 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.77 0.319 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -90.0 -36.03 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -66.16 -25.89 67.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.279 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 13' ' ' THR . 14.4 p -54.95 -22.86 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -90.32 -19.69 23.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.1 -35.89 19.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -54.48 -25.16 23.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.08 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.38 141.08 20.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 64.03 16.59 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.274 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.79 94.74 0.01 OUTLIER Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -30.94 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.74 70.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.19 -59.47 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.727 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.5 tppt? -44.67 -26.54 0.39 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.908 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -42.74 -39.8 2.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.759 ' HD1' HD21 ' A' ' 32' ' ' LEU . 1.5 p90 -50.79 -40.03 54.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.179 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.3 tt -45.85 -26.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.955 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.92 64.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.906 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.735 ' CH2' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.64 -50.66 66.22 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.958 HD22 ' H ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -48.31 -67.63 0.25 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.473 0.654 . . . . 0.0 110.465 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.517 ' HB ' ' C24' ' A' 1038 ' ' D6M . 12.8 p -50.26 -43.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.208 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' N ' HG13 ' A' ' 33' ' ' VAL . 2.4 mpt_? -70.37 -28.74 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.79 85.49 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.574 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 -172.15 149.41 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.49 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.582 H161 ' CH2' ' A' ' 31' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.817 0.341 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.7 90.0 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.42 -175.86 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.9 175.35 21.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.558 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 165.24 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 16' ' ' VAL . 23.1 t80 -170.02 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -57.39 -69.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m -83.36 -23.28 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -29.91 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.128 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 12' ' ' PHE . 38.2 t -80.79 -66.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -26.57 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -63.81 -29.09 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.607 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -89.63 -29.12 19.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 111.08 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 2.9 mp -76.0 -84.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 169.6 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.932 0.396 . . . . 0.0 110.701 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.94 -163.73 37.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.97 -41.85 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.71 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.888 ' HB1' ' C05' ' A' 1038 ' ' D6M . . . -54.45 -41.2 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 0.0 111.231 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.858 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -90.18 -19.58 24.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.08 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.82 -21.8 63.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 1.6 p90 -89.9 -38.57 13.61 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.858 HG22 ' O ' ' A' ' 26' ' ' LYS . 3.0 tt -45.59 -28.33 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.838 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB1' ' NH2' ' A' ' 34' ' ' ARG . . . -68.57 -26.23 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.467 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.766 ' CE3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -69.8 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.766 HD23 ' CE3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -63.64 -36.77 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.877 -178.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 29' ' ' ILE . 91.8 t -69.09 -26.32 31.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.693 0.282 . . . . 0.0 110.969 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.67 ' NH2' ' HB1' ' A' ' 30' ' ' ALA . 12.7 mtm-85 -82.72 58.58 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 -106.8 2.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.22 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.94 28.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.888 ' C05' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.821 0.344 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.79 109.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -81.59 115.71 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.63 102.35 1.86 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.73 169.2 20.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 16' ' ' VAL . 18.6 t80 -165.42 -50.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -78.54 -32.45 47.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -87.56 -30.93 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.96 -35.68 62.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 12' ' ' PHE . 11.7 p -72.44 -46.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 16' ' ' VAL . 18.5 p -58.2 -19.96 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.287 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.3 m -62.54 -29.2 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.815 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -84.15 -47.66 10.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.26 . . . . 0.0 111.427 -179.542 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -71.62 153.1 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.61 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.68 -143.81 6.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -40.67 96.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.44 -20.41 44.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.358 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.837 ' HB1' H061 ' A' 1038 ' ' D6M . . . -57.04 -20.05 22.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.48 -52.42 6.51 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.678 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -51.88 -29.76 21.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.594 0.711 . . . . 0.0 109.14 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 1.005 ' CE2' H121 ' A' 1038 ' ' D6M . 12.9 t80 -53.8 -71.5 0.07 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.312 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.686 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -45.9 -19.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.0 -20.31 38.72 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.908 ' CZ3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -74.54 -51.2 15.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.252 0.549 . . . . 0.0 111.387 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.686 ' CD1' ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -76.54 -19.04 58.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.734 -177.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 29' ' ' ILE . 76.7 t -84.83 -21.51 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 0.0 110.993 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -51.73 5.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.59 -42.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.62 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 66.31 -73.52 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.545 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 1.005 H121 ' CE2' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.85 0.357 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.63 150.44 36.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.47 114.58 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.05 -169.92 7.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.731 HG23 ' HB2' ' A' ' 15' ' ' ASP . 7.4 t -69.83 -175.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.748 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 16' ' ' VAL . 48.4 t80 -170.12 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.043 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -48.11 -59.14 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -90.13 -40.04 12.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.731 ' HB2' HG23 ' A' ' 11' ' ' THR . 44.9 t0 -48.1 -28.46 2.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.957 0.408 . . . . 0.0 110.827 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 19' ' ' TYR . 13.6 t -81.34 -51.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.882 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 20' ' ' LEU . 3.1 m -50.03 -23.31 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -71.32 -33.34 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CE2' HG13 ' A' ' 16' ' ' VAL . 1.1 p90 -90.13 -50.17 6.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 17' ' ' SER . 1.3 pp -55.07 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 111.161 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -135.44 -72.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -124.96 56.68 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.952 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -31.16 0.28 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.75 -59.7 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.356 . . . . 0.0 111.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 -45.97 10.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.681 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.867 ' O ' HG22 ' A' ' 29' ' ' ILE . 12.6 mmmt -50.03 -24.25 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -42.87 -31.36 0.49 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.912 0.386 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -65.25 -40.29 93.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.134 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 33' ' ' VAL . 11.2 tt -49.0 -30.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.92 -24.39 57.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.641 ' CE3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -61.22 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.94 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -58.81 -33.64 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.316 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 29' ' ' ILE . 98.4 t -59.56 -25.85 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -98.52 31.42 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.07 99.06 1.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.385 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -130.84 -70.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.469 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.537 H202 HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.54 165.23 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.35 139.44 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.21 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -103.83 90.28 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.852 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -137.12 -45.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -49.3 -28.84 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.89 -42.91 15.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.97 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 12' ' ' PHE . 23.9 t -61.89 -62.72 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -49.62 -26.83 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.011 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -37.59 75.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 3.2 mp -85.76 56.75 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.813 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.27 45.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.5 68.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.577 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -47.94 82.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -19.87 62.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.299 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' O ' ' HD1' ' A' ' 28' ' ' PHE . . . -82.09 -19.43 40.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.801 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -90.11 -19.97 23.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.59 0.233 . . . . 0.0 111.515 -179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -48.25 -43.64 32.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 111.404 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.912 ' CD2' HD11 ' A' ' 32' ' ' LEU . 4.1 p90 -46.11 -42.32 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 26' ' ' LYS . 11.4 tt -49.17 -26.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.895 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.4 -20.06 44.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.42 ' CD2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.93 -52.16 8.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.103 -179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.925 HD13 ' C22' ' A' 1038 ' ' D6M . 0.6 OUTLIER -56.57 -61.98 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.577 HG23 H231 ' A' 1038 ' ' D6M . 41.0 t -54.86 -25.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -58.76 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.827 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.55 -114.06 2.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.415 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.415 HH11 HD23 ' A' ' 32' ' ' LEU . 10.7 ttt180 61.05 112.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.498 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.925 ' C22' HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.6 m170 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.84 0.352 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.12 -170.02 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.97 -177.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.16 105.78 0.68 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.608 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -142.06 157.85 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.5 p90 -132.52 -42.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.201 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -42.36 -55.03 3.54 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -22.5 21.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.164 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 12' ' ' PHE . 62.1 t -55.6 -59.02 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.036 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.6 m -53.05 -24.06 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -37.56 83.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.368 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.707 ' HE2' HG13 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -81.11 -19.95 42.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.639 0.257 . . . . 0.0 111.146 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 19' ' ' TYR . 32.7 mt -67.4 -13.17 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.279 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 44.04 83.18 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.932 0.396 . . . . 0.0 111.403 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.61 42.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -87.46 -28.32 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.65 -28.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.5 -73.38 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.807 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.9 tppt? -45.81 -27.03 0.76 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.91 -28.13 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.363 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' HD1' HD11 ' A' ' 32' ' ' LEU . 1.7 p90 -61.67 -36.54 81.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.807 HG22 ' O ' ' A' ' 26' ' ' LYS . 9.1 tt -55.44 -19.75 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.941 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.89 -19.65 65.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.634 0.254 . . . . 0.0 111.503 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.09 -63.88 1.24 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.724 HD13 ' H ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.25 -19.57 35.11 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 32' ' ' LEU . 25.2 t -82.16 -30.4 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.797 0.332 . . . . 0.0 110.674 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mtm-85 -78.76 -30.66 45.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.7 105.82 0.21 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.62 -62.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.51 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.54 ' C21' HD23 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.64 -175.64 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.48 175.01 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.86 107.47 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.583 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 11' ' ' THR . 3.4 t -147.05 89.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.905 ' O ' HG23 ' A' ' 16' ' ' VAL . 33.4 p90 -112.22 -26.25 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.203 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 14' ' ' SER . 5.4 t -45.25 -47.26 12.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 13' ' ' THR . 3.7 t -90.01 -27.09 19.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.65 -19.95 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.311 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 12' ' ' PHE . 85.5 t -49.19 -56.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.225 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.576 ' HA ' HD21 ' A' ' 20' ' ' LEU . 12.2 t -54.33 -21.64 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.488 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -62.59 -42.62 99.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.653 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.621 ' CE2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.24 -46.62 82.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.639 0.257 . . . . 0.0 111.153 -179.463 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.621 HD23 ' CE2' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -78.18 101.35 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -58.3 -29.11 65.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.6 41.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.411 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -57.9 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.67 61.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.892 ' HB1' H052 ' A' 1038 ' ' D6M . . . -70.44 -76.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.893 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -44.62 -28.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.341 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -65.7 -46.46 78.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.893 HG22 ' O ' ' A' ' 26' ' ' LYS . 18.0 tt -47.5 -29.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.7 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -19.99 60.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.671 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -83.77 -58.59 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 111.503 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.87 HD21 H231 ' A' 1038 ' ' D6M . 0.4 OUTLIER -72.75 -19.75 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.757 ' N ' HD23 ' A' ' 32' ' ' LEU . 7.7 p -75.16 -29.26 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.045 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -86.56 55.46 3.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.82 81.63 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 9.3 ptt85 -85.68 120.82 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.553 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.892 H052 ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.72 99.57 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -77.11 -179.06 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.86 106.56 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.595 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.78 164.19 21.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -115.41 -24.7 8.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.18 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.407 -179.626 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.493 ' H ' HG23 ' A' ' 13' ' ' THR . 1.3 p -90.34 -32.54 16.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.195 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -26.95 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.528 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.6 p -74.24 -46.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.481 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.577 ' HA ' HD13 ' A' ' 20' ' ' LEU . 1.5 p -60.17 -19.95 56.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.375 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.21 -49.84 68.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.749 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -58.95 -22.12 59.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.552 -179.098 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 17' ' ' SER . 2.7 mp -79.92 126.71 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.25 55.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.13 -51.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.412 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -26.93 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.05 54.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.25 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.71 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.874 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -44.75 -27.56 0.52 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.684 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.36 -29.07 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 2.0 p90 -64.27 -41.91 96.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.874 HG22 ' O ' ' A' ' 26' ' ' LYS . 15.0 tt -48.49 -29.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.431 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.47 65.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -71.12 -59.78 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.888 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 31' ' ' TRP . 1.1 pp -59.15 -40.98 87.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.222 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.775 HG22 H263 ' A' 1038 ' ' D6M . 93.9 t -61.66 -28.39 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -59.43 -48.84 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.52 -43.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.692 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HB3' ' CA ' ' A' ' 32' ' ' LEU . 1.9 ttt180 -56.59 107.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.442 -1.199 . . . . 0.0 112.484 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.775 H263 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.19 128.34 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.8 148.89 33.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.77 154.05 25.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.99 -174.68 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -149.21 -59.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -57.77 -29.9 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.028 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -88.88 -30.46 18.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.22 -36.84 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 12' ' ' PHE . 22.5 m -70.05 -34.58 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -55.95 -20.45 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.18 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.7 p -77.3 -44.32 30.08 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -58.69 -27.52 64.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.701 0.286 . . . . 0.0 111.044 -179.392 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -75.35 163.96 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -141.13 36.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 85.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.564 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.11 -39.46 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -19.87 59.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.411 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.806 ' HB1' H062 ' A' 1038 ' ' D6M . . . -75.69 -19.82 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.467 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.892 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.33 -19.56 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.623 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.04 -34.81 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.611 ' CE1' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -63.84 -36.69 84.75 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 26' ' ' LYS . 14.8 tt -56.69 -19.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.49 60.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.844 0.354 . . . . 0.0 110.643 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.05 -60.57 2.24 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.842 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD13 ' H ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -62.44 -19.52 63.58 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.595 -179.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.575 HG23 HD23 ' A' ' 32' ' ' LEU . 29.2 t -86.4 -21.08 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 4.6 ttm105 -107.15 84.01 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.964 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.01 -64.92 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.642 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -64.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.521 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.806 H062 ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 p80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.833 0.349 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.65 169.0 10.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.97 131.11 50.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.55 179.68 37.69 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.01 155.63 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.589 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.8 t80 -133.27 -46.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -58.77 -43.28 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -88.68 -30.03 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 12' ' ' PHE . 14.5 p -80.61 -43.94 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.283 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 16' ' ' VAL . 3.0 p -57.66 -21.01 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -39.45 65.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.395 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.433 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -80.95 -31.12 35.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.035 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 17' ' ' SER . 2.6 mp -69.01 -74.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.01 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -172.27 -49.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.16 75.71 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.376 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.87 -24.3 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.641 0.258 . . . . 0.0 111.427 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -57.31 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.418 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.24 -48.79 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.727 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -49.46 -22.49 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.401 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -43.76 -32.12 0.96 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 111.101 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.491 ' CE1' HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -64.53 -42.15 95.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.739 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.758 HD11 H262 ' A' 1038 ' ' D6M . 1.5 tt -52.77 -30.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.558 ' HB1' ' NH2' ' A' ' 34' ' ' ARG . . . -66.6 -27.55 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.375 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -74.23 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.828 -179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.694 HD12 HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -58.86 -41.47 87.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.415 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG23 HD12 ' A' ' 32' ' ' LEU . 54.7 t -64.8 -28.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.706 0.289 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.558 ' NH2' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -58.99 -39.64 82.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.72 71.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.584 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -128.96 30.82 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.543 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.758 H262 HD11 ' A' ' 29' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.44 -171.35 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.22 131.21 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.91 155.66 22.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 15' ' ' ASP . 8.8 t -74.49 139.23 43.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -149.31 -49.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 p -60.63 -47.68 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -30.72 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.533 ' HB2' HG23 ' A' ' 11' ' ' THR . 40.8 t0 -59.18 -39.79 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.7 p -68.63 -19.7 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -88.12 -19.81 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -75.63 -42.74 50.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.629 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -56.27 -23.4 36.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.743 0.306 . . . . 0.0 111.025 -179.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 19' ' ' TYR . 14.9 mt -58.89 -162.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.774 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 72.8 79.44 0.14 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.67 -129.42 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -22.75 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.84 77.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.306 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB1' ' CE2' ' A' ' 28' ' ' PHE . . . -55.2 -24.6 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -66.27 -19.73 65.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.108 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -34.13 75.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 29' ' ' ILE . 6.2 p90 -87.95 -38.17 15.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.744 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.04 -21.46 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.788 0.327 . . . . 0.0 111.25 -179.363 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.96 -19.81 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.239 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.653 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -89.81 -59.77 2.11 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.947 0.404 . . . . 0.0 111.607 -179.692 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -52.23 -20.55 2.71 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.419 -177.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.057 HG22 H263 ' A' 1038 ' ' D6M . 53.4 t -90.34 -44.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.762 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -56.64 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.778 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.03 -132.92 7.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 60.76 156.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.525 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 1.057 H263 HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.95 45.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -85.85 178.25 7.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.02 116.41 6.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.69 -170.86 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 16' ' ' VAL . 43.3 p90 -170.15 -36.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.383 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 t -35.73 -36.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -90.21 -44.01 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.89 -19.59 65.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 12' ' ' PHE . 73.3 t -45.17 -25.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.44 ' O ' HD21 ' A' ' 20' ' ' LEU . 89.5 p -89.27 -31.85 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.7 p -90.93 -19.93 22.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.522 ' CD1' ' HA ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -85.03 -21.49 29.41 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 1.3 pp -49.81 161.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.853 0.358 . . . . 0.0 111.176 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 63.54 53.05 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.57 101.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.585 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -59.57 -26.46 65.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 111.201 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.95 -59.44 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.27 -46.35 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.837 ' O ' HG22 ' A' ' 29' ' ' ILE . 4.5 mmpt? -49.58 -24.37 2.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.256 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.82 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.372 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 32' ' ' LEU . 1.4 p90 -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.924 0.392 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.851 HD11 H263 ' A' 1038 ' ' D6M . 11.3 tt -54.89 -31.54 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.386 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' HH11 ' A' ' 34' ' ' ARG . . . -60.48 -33.05 72.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.51 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.17 -67.15 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.04 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.919 HD13 H201 ' A' 1038 ' ' D6M . 1.1 pp -56.19 -44.68 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.9 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.774 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.5 p -56.37 -37.72 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.457 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.527 HH11 ' HB1' ' A' ' 30' ' ' ALA . 6.3 mtt180 -100.37 -77.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.54 76.36 0.38 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -176.71 156.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.332 . . . . 0.0 110.76 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.557 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1038 ' ' D6M . . . . . 0.919 H201 HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_