data_1zrx_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 1zrx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 120.492 0.186 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.95 -43.4 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.99 -20.9 55.51 Favored 'General case' 0 C--O 1.228 -0.07 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.184 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -74.93 -42.75 57.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -60.19 -30.57 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.798 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.74 -42.46 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.316 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.59 -39.78 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.0 -35.12 46.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.33 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 33.7 mmtp -58.63 -35.5 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.25 -38.43 51.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.06 -42.27 89.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.008 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 2.7 pptp? -60.35 -36.59 78.36 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.476 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 85.7 t60 -73.14 -39.93 65.3 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.3 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.15 0.5 . . . . 0.0 109.936 179.393 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.8 ttt-85 . . . . . 0 C--O 1.222 -0.391 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.42 -48.73 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.565 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -72.31 -24.33 61.3 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.701 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -70.56 -47.03 62.28 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 46.4 t30 -61.3 -35.34 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.608 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.88 -38.65 82.82 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 6' ' ' HIS . 21.5 mt -67.93 -51.89 42.51 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.62 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 95.4 t -48.4 -36.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 124.69 1.244 . . . . 0.0 112.829 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 8.7 mmpt? -56.43 -36.33 68.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.243 0.544 . . . . 0.0 109.834 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -97.37 -36.11 10.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.196 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.62 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 4.8 t -60.65 -36.82 73.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 C-N-CA 124.547 1.139 . . . . 0.0 111.217 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -59.34 -37.9 79.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -73.21 -41.14 64.12 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.853 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HA ' ' HB3' ' A' ' 7' ' ' PHE . 78.9 mtt-85 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -60.73 -47.14 87.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.672 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -87.75 -22.85 24.33 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.798 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 25.6 t80 -67.49 -39.22 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.87 -28.99 69.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.08 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -64.85 -40.32 94.97 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.34 -42.4 88.2 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.584 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 61.7 t -58.32 -36.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.272 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -38.14 70.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.026 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -89.59 -27.56 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.486 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.584 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -50.57 -31.98 9.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.547 -178.236 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -57.62 -39.38 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.251 0.548 . . . . 0.0 110.186 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -78.57 -38.37 40.35 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.898 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.297 -179.744 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.194 0 CA-C-O 121.222 0.534 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -63.93 -57.87 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.975 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.662 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -69.81 -25.21 63.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 110.386 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.648 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 42.9 t80 -68.18 -41.13 81.93 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 121.97 0.891 . . . . 0.0 109.014 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -37.85 77.0 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.662 ' HD2' ' HA ' ' A' ' 6' ' ' HIS . 11.2 mttm -67.26 -38.72 85.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.574 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.6 pp -71.57 -30.55 65.98 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 41.5 t -66.96 -37.01 78.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.142 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -37.4 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -96.2 -19.13 19.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -54.32 -35.23 29.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.358 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.78 -38.94 89.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -71.45 -42.33 68.33 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 120.971 0.415 . . . . 0.0 109.897 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.048 -179.723 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.681 0.277 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -60.83 -64.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -24.46 62.79 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.159 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -67.02 -44.56 79.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.176 0.512 . . . . 0.0 109.78 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -60.64 -29.85 69.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.567 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -62.91 -37.92 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.94 -42.6 73.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.619 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 54.6 t -55.66 -37.08 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.534 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -38.94 71.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.26 0.552 . . . . 0.0 109.975 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -108.25 16.17 23.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.29 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.619 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 2.4 p -60.64 -36.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.885 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.27 92.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.87 -38.8 92.44 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.965 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.638 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -63.98 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.668 0.27 . . . . 0.0 111.296 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.94 -26.4 62.27 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.424 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.73 -42.35 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 109.82 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 43.5 t30 -58.26 -36.58 73.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.46 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.35 -37.12 84.46 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 0.0 109.905 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.53 -38.32 86.92 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.34 -36.86 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.2 mmpt? -57.04 -42.43 80.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -80.78 -31.07 35.89 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.123 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -43.88 83.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.175 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.25 -37.9 84.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 109.905 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.54 -40.95 80.48 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.769 -178.484 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 22.1 pttm -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -23.25 66.42 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.483 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.583 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 t80 -75.86 -43.09 47.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.525 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 18.5 t-20 -60.87 -41.91 96.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.778 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 71.7 mmtt -55.75 -46.1 77.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.837 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 4.5 pp -72.37 -35.66 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.12 -38.09 81.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 O-C-N 122.947 0.154 . . . . 0.0 110.76 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.6 mmpt? -56.05 -41.38 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 109.164 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.0 -38.17 64.18 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.446 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.7 t -60.32 -50.79 78.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -58.45 -40.39 82.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.056 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -66.82 -44.62 80.68 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.417 0.627 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -55.51 -35.14 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.765 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.474 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -71.56 -22.57 61.73 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.003 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 6' ' ' HIS . 28.6 t80 -80.71 -41.35 23.78 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.67 -36.06 71.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.58 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -58.4 -43.3 88.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.167 0.508 . . . . 0.0 109.695 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mt -67.7 -39.28 84.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.16 -38.16 66.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.733 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -60.52 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -70.51 -41.4 72.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.42 -38.47 70.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.734 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -54.57 -45.81 73.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.012 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.97 -39.34 76.04 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.674 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.415 . . . . 0.0 110.616 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.503 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -66.24 -22.32 66.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.7 -16.99 61.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.796 0.332 . . . . 0.0 110.534 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.563 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 27.0 t80 -76.54 -53.25 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.576 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 5.8 p-10 -61.8 -25.83 67.73 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.225 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 59.1 mmtt -57.44 -31.04 65.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.427 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.5 pp -99.26 -20.45 16.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.523 ' CG2' ' HA ' ' A' ' 8' ' ' ASN . 9.8 t -54.35 -40.76 49.76 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.342 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.576 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -58.97 -36.99 75.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.337 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -76.21 -35.9 58.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.58 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -59.9 -36.39 76.88 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.69 -41.79 83.11 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.961 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 109.936 179.752 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.988 0.423 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.76 -32.66 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.532 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -68.65 -25.31 64.76 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.869 0.366 . . . . 0.0 110.372 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' N ' ' HD2' ' A' ' 6' ' ' HIS . 28.5 t80 -81.73 -43.69 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.768 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.19 -33.32 69.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.96 -40.15 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -70.71 -43.13 69.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.3 -32.87 42.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.434 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -57.97 -38.93 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -80.75 -37.81 29.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.661 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.1 t -55.47 -41.26 62.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -57.88 -43.76 86.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.96 -38.34 79.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.121 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.7 m . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.103 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.973 0.416 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.22 161.81 54.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.594 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -77.15 48.69 0.63 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.025 0.44 . . . . 0.0 111.305 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -66.85 -2.73 5.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.167 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.95 -43.4 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.99 -20.9 55.51 Favored 'General case' 0 C--O 1.228 -0.07 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.184 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -74.93 -42.75 57.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -60.19 -30.57 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.798 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.74 -42.46 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.316 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.59 -39.78 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.0 -35.12 46.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.33 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 33.7 mmtp -58.63 -35.5 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.25 -38.43 51.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.06 -42.27 89.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.008 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 2.7 pptp? -60.35 -36.59 78.36 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.476 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 85.7 t60 -73.14 -39.93 65.3 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.3 m -57.9 -44.5 86.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.15 0.5 . . . . 0.0 109.936 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.02 -46.1 97.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.801 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -66.28 0.56 Allowed 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.455 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -43.4 -36.21 1.85 Allowed 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -75.34 -51.07 14.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.47 -10.71 23.2 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.78 -9.73 58.01 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 122.118 -0.364 . . . . 0.0 111.229 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 ' O ' ' HB ' ' A' ' 28' ' ' THR . 2.7 m -61.17 -30.49 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.646 0.26 . . . . 0.0 110.482 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.49 -22.77 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.096 0.474 . . . . 0.0 110.731 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -101.78 -51.7 3.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.582 0.706 . . . . 0.0 110.668 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.513 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 38.6 t70 -62.65 -19.8 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.464 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 24' ' ' VAL . 8.9 t -53.23 -39.5 63.82 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.563 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.57 19.29 19.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' CG2' ' HA ' ' A' ' 27' ' ' ASP . 78.8 t -89.41 -45.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.082 0.468 . . . . 0.0 109.931 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.8 mt -130.43 -45.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.877 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.71 -69.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.59 34.64 3.47 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.4 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -163.3 32.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 110.39 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.26 -65.64 0.12 Allowed Glycine 0 C--O 1.221 -0.7 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.96 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.25 90.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.051 0.453 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.86 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.196 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.67 -50.58 28.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.405 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -57.83 -35.19 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 0.0 110.189 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.0 -24.14 52.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.45 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -60.27 2.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.483 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.5 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.294 -179.816 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.0 0.429 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -168.06 43.75 0.23 Allowed Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.951 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -78.22 -23.62 47.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.8 ttt-85 -59.41 -19.79 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.917 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 2' ' ' GLY . 18.1 ptpt -54.42 -48.73 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -72.31 -24.33 61.3 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.701 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -70.56 -47.03 62.28 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 46.4 t30 -61.3 -35.34 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.608 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.88 -38.65 82.82 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 6' ' ' HIS . 21.5 mt -67.93 -51.89 42.51 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.62 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 95.4 t -48.4 -36.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 124.69 1.244 . . . . 0.0 112.829 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 8.7 mmpt? -56.43 -36.33 68.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.243 0.544 . . . . 0.0 109.834 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -97.37 -36.11 10.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.196 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.62 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 4.8 t -60.65 -36.82 73.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 C-N-CA 124.547 1.139 . . . . 0.0 111.217 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -59.34 -37.9 79.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -73.21 -41.14 64.12 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.853 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 m -59.61 -45.01 93.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.6 mt -59.63 -42.39 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.69 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -66.93 -42.53 85.16 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.418 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 27.5 mm-40 -53.77 -48.98 69.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.459 . . . . 0.0 111.662 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -53.2 -40.55 64.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.592 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.49 -30.25 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.623 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -77.6 5.52 8.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.633 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 m -62.29 -27.65 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.81 -46.22 75.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HE3' ' HB2' ' A' ' 23' ' ' HIS . 16.0 pttp -76.28 -36.71 58.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.07 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -100.24 23.86 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.833 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -60.51 -36.91 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.126 0.489 . . . . 0.0 110.503 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.72 38.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.297 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.32 -41.27 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.947 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mp -64.81 -42.07 93.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.19 91.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.833 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.02 -40.41 98.87 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.268 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -103.75 57.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 111.587 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.68 -59.94 0.28 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.19 75.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.76 79.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.19 -44.31 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.093 0.473 . . . . 0.0 110.23 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.34 -37.17 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.918 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.55 76.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.85 -42.21 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.414 -179.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.704 0.287 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -174.85 46.12 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -71.31 -24.1 62.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.702 0.287 . . . . 0.0 111.602 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HA ' ' HB3' ' A' ' 7' ' ' PHE . 78.9 mtt-85 -60.75 -25.76 66.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 2' ' ' GLY . 24.5 pttm -60.73 -47.14 87.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.672 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -87.75 -22.85 24.33 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.798 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 25.6 t80 -67.49 -39.22 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.87 -28.99 69.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.08 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -64.85 -40.32 94.97 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.34 -42.4 88.2 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.584 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 61.7 t -58.32 -36.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.272 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -38.14 70.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.026 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -89.59 -27.56 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.486 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.584 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -50.57 -31.98 9.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.547 -178.236 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -57.62 -39.38 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.251 0.548 . . . . 0.0 110.186 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -78.57 -38.37 40.35 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.898 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -59.3 -45.01 92.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.297 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 14' ' ' VAL . 91.4 mt -58.38 -43.96 87.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.127 0.489 . . . . 0.0 109.683 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -66.02 -49.2 68.6 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.367 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 27.1 mm-40 -53.45 -46.78 70.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -51.78 -42.42 62.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.26 -37.59 9.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -61.94 -21.42 64.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.106 -177.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' N ' ' HD2' ' A' ' 23' ' ' HIS . 9.0 m -64.33 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.993 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.29 -24.11 41.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.057 0.456 . . . . 0.0 109.926 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.647 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 13.5 ptpt -104.11 -42.02 5.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 25.2 t70 -71.96 -31.68 66.55 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 m -52.47 -58.27 7.27 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.15 -15.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' ' 26' ' ' LYS . 2.2 t -60.15 -41.21 85.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 O-C-N 122.503 -0.123 . . . . 0.0 110.945 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 26' ' ' LYS . 91.0 mt -63.79 -39.05 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.46 97.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.845 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.69 -49.71 35.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.668 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -88.08 39.75 0.91 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.464 . . . . 0.0 110.567 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -158.23 -62.55 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.455 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -46.02 81.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.034 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.42 87.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.436 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.62 -49.1 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.418 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.26 -34.61 70.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 110.651 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.8 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.411 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.69 -50.95 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.573 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.484 -179.544 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.89 -136.78 3.73 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.3 p90 47.38 30.64 1.61 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 112.819 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.78 -17.7 22.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.222 0.534 . . . . 0.0 110.01 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -63.93 -57.87 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.975 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.662 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -69.81 -25.21 63.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 110.386 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.648 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 42.9 t80 -68.18 -41.13 81.93 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 121.97 0.891 . . . . 0.0 109.014 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -37.85 77.0 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.662 ' HD2' ' HA ' ' A' ' 6' ' ' HIS . 11.2 mttm -67.26 -38.72 85.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.574 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.6 pp -71.57 -30.55 65.98 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 41.5 t -66.96 -37.01 78.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.142 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -37.4 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -96.2 -19.13 19.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -54.32 -35.23 29.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.358 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.78 -38.94 89.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -71.45 -42.33 68.33 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 120.971 0.415 . . . . 0.0 109.897 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -58.49 -47.05 85.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.048 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.46 -41.44 92.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.99 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -60.64 -45.06 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.424 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 24.9 mm-40 -47.63 -51.08 22.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.143 0.496 . . . . 0.0 111.51 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -51.72 -40.44 60.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.3 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.85 -6.51 17.62 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -95.77 -12.83 24.74 Favored 'General case' 0 C--O 1.208 -1.093 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.427 ' N ' ' HD2' ' A' ' 23' ' ' HIS . 14.4 p -58.04 -27.38 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 123.448 0.467 . . . . 0.0 111.486 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.13 -37.2 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.123 0.487 . . . . 0.0 109.972 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 13.3 ptmm? -100.52 -41.01 7.15 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.799 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 85.3 m-20 -98.74 42.0 1.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.564 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.0 t -63.77 -43.73 95.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 4.42 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.437 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 27' ' ' ASP . 9.4 p -68.32 -31.54 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 121.069 0.461 . . . . 0.0 109.866 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.52 -36.74 78.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.85 48.15 0.8 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.434 0.635 . . . . 0.0 110.016 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.7 -34.85 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -137.19 54.61 1.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.468 . . . . 0.0 110.329 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.14 -43.86 0.09 OUTLIER Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.53 76.12 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.667 0.387 . . . . 0.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.19 87.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.345 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -64.5 -43.85 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.701 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 t -61.82 -35.84 70.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.376 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.12 72.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.321 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.08 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.593 -179.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.42 0.152 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.47 168.68 45.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.974 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.607 ' HB2' ' NE2' ' A' ' 6' ' ' HIS . 22.3 p90 43.22 40.62 2.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.976 0.893 . . . . 0.0 111.618 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -68.76 -25.87 64.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.561 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -60.83 -64.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.607 ' NE2' ' HB2' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -70.56 -24.46 62.79 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.159 -179.093 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -67.02 -44.56 79.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.176 0.512 . . . . 0.0 109.78 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -60.64 -29.85 69.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.567 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -62.91 -37.92 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.94 -42.6 73.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.619 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 54.6 t -55.66 -37.08 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.534 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -38.94 71.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.26 0.552 . . . . 0.0 109.975 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -108.25 16.17 23.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.29 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.619 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 2.4 p -60.64 -36.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.885 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.27 92.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.87 -38.8 92.44 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.965 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.04 -43.76 91.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.638 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' VAL . 70.4 mt -59.49 -50.74 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 m -69.89 -45.77 66.9 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.353 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.695 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 38.4 tt0 -57.03 -46.53 82.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -57.34 -36.01 70.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.667 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.8 -32.14 14.77 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -78.96 13.01 1.9 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.617 -178.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 m -65.58 -21.53 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.078 0.466 . . . . 0.0 109.848 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.4 86.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.835 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 20.3 ptmt -92.43 -40.89 10.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.621 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 24.7 t70 -81.17 15.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.308 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 t -64.37 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -171.61 42.5 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.832 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.0 -39.68 81.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.16 -44.5 64.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.3 96.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.098 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.41 99.71 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.509 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -62.53 -41.95 99.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.21 -41.62 99.58 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.31 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.799 0.333 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.53 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 39' ' ' VAL . 11.4 p -65.81 -39.8 85.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.186 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.415 ' N ' HG12 ' A' ' 38' ' ' VAL . 94.0 t -64.07 -39.96 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.087 0.47 . . . . 0.0 110.104 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.816 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.31 -45.1 73.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.346 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.413 0.149 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.99 -33.76 1.35 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.93 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -61.98 -27.68 69.02 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -69.91 -14.17 62.6 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -63.98 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.668 0.27 . . . . 0.0 111.296 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.94 -26.4 62.27 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.424 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.73 -42.35 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 109.82 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 43.5 t30 -58.26 -36.58 73.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.46 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.35 -37.12 84.46 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 0.0 109.905 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.53 -38.32 86.92 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.34 -36.86 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.2 mmpt? -57.04 -42.43 80.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -80.78 -31.07 35.89 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.123 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -43.88 83.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.175 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.25 -37.9 84.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 109.905 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.54 -40.95 80.48 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m -62.86 -55.08 29.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.769 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.28 -45.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -72.98 -43.78 61.85 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.18 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.763 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.4 tt0 -57.25 -45.09 84.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.2 m -53.12 -35.98 60.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.503 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.73 -36.03 10.36 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.763 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -74.03 13.81 0.49 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -177.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 m -62.8 -20.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.622 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.54 84.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.163 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE2' ' HB2' ' A' ' 23' ' ' HIS . 60.6 pttt -96.55 -43.6 7.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.565 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -93.33 41.43 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 179.422 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -66.05 -42.28 89.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 0.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.59 25.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.288 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 p -73.01 -32.36 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.197 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 33' ' ' GLY . 56.7 mt -66.85 -30.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.13 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.34 38.7 0.14 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.118 0.485 . . . . 0.0 111.394 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . 178.23 -57.36 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -85.36 52.35 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.314 0.578 . . . . 0.0 110.593 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.41 -60.52 0.21 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.581 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.41 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.96 0.409 . . . . 0.0 110.764 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.63 -39.01 73.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.011 0.434 . . . . 0.0 110.301 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.48 -47.92 90.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.303 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -38.71 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.938 0.399 . . . . 0.0 110.38 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.17 97.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.744 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.46 87.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.583 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.7 mmt-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.58 0.228 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -131.63 -49.24 0.1 Allowed Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' A' ' 5' ' ' LYS . 22.0 t80 -91.17 148.91 22.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 71.33 -18.03 0.3 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.292 0.37 . . . . 0.0 111.629 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 22.1 pttm -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.18 -23.25 66.42 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.483 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.583 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 t80 -75.86 -43.09 47.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.525 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 18.5 t-20 -60.87 -41.91 96.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.778 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 71.7 mmtt -55.75 -46.1 77.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.837 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 4.5 pp -72.37 -35.66 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.12 -38.09 81.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 O-C-N 122.947 0.154 . . . . 0.0 110.76 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.6 mmpt? -56.05 -41.38 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 109.164 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.0 -38.17 64.18 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.446 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 18' ' ' ILE . 51.7 t -60.32 -50.79 78.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -58.45 -40.39 82.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.056 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -66.82 -44.62 80.68 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.4 m -62.42 -47.07 85.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' VAL . 91.5 mt -56.07 -48.89 78.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 110.028 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 50.3 m -66.53 -53.92 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.671 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.686 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 35.6 tt0 -46.3 -36.38 6.22 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.756 0.423 . . . . 0.0 111.551 -179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -49.27 -49.22 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.921 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.83 39.62 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.686 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -120.23 11.97 11.68 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.998 179.05 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' O ' ' HB ' ' A' ' 28' ' ' THR . 21.4 t -62.93 -39.77 86.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.292 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.95 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 27' ' ' ASP . 11.8 ptmm? -90.66 -39.94 12.18 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.521 ' HB3' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -100.29 19.93 15.67 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 122.894 0.477 . . . . 0.0 111.051 -179.427 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 24' ' ' VAL . 4.9 t -61.31 -48.15 82.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.1 -33.21 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.173 0.511 . . . . 0.0 110.149 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' A' ' 27' ' ' ASP . 97.9 t -57.41 -50.52 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.531 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' ' 27' ' ' ASP . 64.9 mt -78.5 -43.62 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.58 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.75 80.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.082 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.67 -54.45 3.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.204 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 t -94.92 51.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.301 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.83 -66.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.461 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.53 -47.13 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.77 89.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.732 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.03 -41.04 91.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.3 t -61.01 -39.85 83.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.62 76.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.403 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 -50.25 42.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.535 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.981 179.418 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.18 146.81 6.33 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.58 48.26 0.65 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -66.04 -17.48 64.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.417 0.627 . . . . 0.0 109.9 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -55.51 -35.14 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.765 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.474 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -71.56 -22.57 61.73 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.003 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 6' ' ' HIS . 28.6 t80 -80.71 -41.35 23.78 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.67 -36.06 71.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.58 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -58.4 -43.3 88.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.167 0.508 . . . . 0.0 109.695 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mt -67.7 -39.28 84.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.16 -38.16 66.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.733 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -60.52 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -70.51 -41.4 72.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 18' ' ' ILE . 76.5 t -58.42 -38.47 70.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.734 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -54.57 -45.81 73.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.012 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.97 -39.34 76.04 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.674 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 24.0 m -55.52 -45.42 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.415 . . . . 0.0 110.616 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 14' ' ' VAL . 78.6 mt -61.03 -41.43 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.324 0.583 . . . . 0.0 110.195 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -67.02 -57.05 7.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 17' ' ' THR . 13.5 pt-20 -56.2 -18.54 10.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -59.43 -47.63 84.73 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 24' ' ' VAL . . . -162.41 43.23 0.13 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.583 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.28 22.81 0.41 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.707 0.289 . . . . 0.0 110.282 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' H ' ' C ' ' A' ' 22' ' ' ALA . 4.2 p -67.09 -22.66 29.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.24 -43.49 41.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.976 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -69.41 -52.96 21.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.109 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -94.13 44.55 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.694 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t -62.55 -43.18 99.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.6 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.85 -38.9 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.114 0.483 . . . . 0.0 110.918 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.05 -54.75 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.126 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.35 -55.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.95 89.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.01 99.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.655 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -83.33 46.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 0.0 111.047 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.5 -70.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 38' ' ' VAL . . . -64.28 -47.95 77.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.69 37.26 0.41 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.461 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.416 ' H ' ' C ' ' A' ' 36' ' ' ALA . 93.9 t -141.84 -63.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.396 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.49 -41.53 93.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.732 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -24.78 32.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.99 52.26 1.62 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.739 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.418 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.492 0.187 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -173.74 34.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.037 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.33 -20.49 64.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.091 0.472 . . . . 0.0 110.236 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -54.99 -11.5 0.66 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.908 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.503 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -66.24 -22.32 66.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.7 -16.99 61.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.796 0.332 . . . . 0.0 110.534 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.563 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 27.0 t80 -76.54 -53.25 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.576 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 5.8 p-10 -61.8 -25.83 67.73 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.225 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 59.1 mmtt -57.44 -31.04 65.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.427 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.5 pp -99.26 -20.45 16.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.523 ' CG2' ' HA ' ' A' ' 8' ' ' ASN . 9.8 t -54.35 -40.76 49.76 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.342 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.576 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -58.97 -36.99 75.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.337 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -76.21 -35.9 58.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 18' ' ' ILE . 57.2 t -62.58 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -59.9 -36.39 76.88 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.69 -41.79 83.11 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.961 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -65.32 -43.25 91.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 109.936 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 14' ' ' VAL . 38.0 mm -58.33 -43.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 m -70.26 -61.7 1.67 Allowed 'General case' 0 C--O 1.192 -1.963 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.726 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -45.11 -41.78 8.2 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.427 0.691 . . . . 0.0 112.636 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -70.35 -53.55 16.19 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.67 -17.96 32.47 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -79.11 -0.8 33.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.872 0.368 . . . . 0.0 110.568 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.6 p -65.54 -26.12 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.85 -45.0 46.11 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -69.98 -54.77 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.777 0.798 . . . . 0.0 109.772 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 86.9 m-20 -84.98 38.77 0.73 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.913 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -58.63 -39.69 81.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.71 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.588 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 27' ' ' ASP . 75.7 t -65.02 -51.36 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.94 -48.58 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.799 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.04 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.97 96.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.57 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 m -90.46 46.7 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.34 -62.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.977 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.79 -41.67 59.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.33 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.08 98.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.99 0.424 . . . . 0.0 110.586 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.8 m -104.28 32.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.71 -41.8 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.581 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.55 -30.44 63.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.94 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.371 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.973 179.773 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.19 -46.24 0.19 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.962 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.05 34.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 111.365 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -77.65 -11.0 59.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.988 0.423 . . . . 0.0 110.851 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.76 -32.66 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.532 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -68.65 -25.31 64.76 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.869 0.366 . . . . 0.0 110.372 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' N ' ' HD2' ' A' ' 6' ' ' HIS . 28.5 t80 -81.73 -43.69 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.768 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.19 -33.32 69.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.96 -40.15 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -70.71 -43.13 69.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.3 -32.87 42.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.434 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -57.97 -38.93 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -80.75 -37.81 29.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.661 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 18' ' ' ILE . 71.1 t -55.47 -41.26 62.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -57.88 -43.76 86.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.96 -38.34 79.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.121 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.7 m -60.87 -44.23 97.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.103 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 14' ' ' VAL . 45.8 mm -59.44 -45.35 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.5 m -63.1 -56.97 12.35 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.53 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -55.05 -35.34 64.39 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.575 -0.703 . . . . 0.0 112.308 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -77.17 -51.95 10.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -26.08 34.05 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 15.04 0.62 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 m -69.33 -23.75 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.71 -44.35 70.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.405 0.621 . . . . 0.0 109.445 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.18 -54.7 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.694 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.09 39.86 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.948 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.1 t -65.22 -43.41 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.047 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.58 -29.27 56.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.0 110.555 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 34' ' ' SER . 57.2 t -71.83 -51.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.949 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.88 -58.65 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.46 -48.47 64.44 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.78 89.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.6 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 8.6 t -97.84 44.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 110.252 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.25 -87.31 0.07 OUTLIER Glycine 0 C--O 1.22 -0.725 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.252 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.2 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -50.25 34.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.851 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.17 -38.26 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.78 -33.9 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.36 71.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.624 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 50.25 1.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.479 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.324 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 120.492 0.186 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.95 -43.4 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -20.9 55.51 Favored 'General case' 0 C--O 1.228 -0.07 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.184 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -74.93 -42.75 57.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -60.19 -30.57 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.798 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.74 -42.46 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.316 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.59 -39.78 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.0 -35.12 46.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.33 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 33.7 mmtp -58.63 -35.5 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -77.25 -38.43 51.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.06 -42.27 89.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.008 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 2.7 pptp? -60.35 -36.59 78.36 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.483 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 85.7 t60 -73.14 -39.93 65.3 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.3 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.15 0.5 . . . . 0.0 109.936 179.393 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.8 ttt-85 . . . . . 0 C--O 1.222 -0.391 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.42 -48.73 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.584 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.31 -24.33 61.3 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.701 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.4 t80 -70.56 -47.03 62.28 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 46.4 t30 -61.3 -35.34 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.608 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.88 -38.65 82.82 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 6' ' ' HIS . 21.5 mt -67.93 -51.89 42.51 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.679 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 95.4 t -48.4 -36.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 124.69 1.244 . . . . 0.0 112.829 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 8.7 mmpt? -56.43 -36.33 68.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.243 0.544 . . . . 0.0 109.834 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -97.37 -36.11 10.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.196 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.679 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 4.8 t -60.65 -36.82 73.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 C-N-CA 124.547 1.139 . . . . 0.0 111.217 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -59.34 -37.9 79.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -73.21 -41.14 64.12 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.853 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HA ' ' HB3' ' A' ' 7' ' ' PHE . 78.9 mtt-85 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -60.73 -47.14 87.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.672 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -22.85 24.33 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.798 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.52 ' HD2' HD12 ' A' ' 10' ' ' LEU . 25.6 t80 -67.49 -39.22 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.87 -28.99 69.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.08 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -64.85 -40.32 94.97 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 7' ' ' PHE . 11.5 mt -66.34 -42.4 88.2 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.635 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 61.7 t -58.32 -36.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.272 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -38.14 70.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.026 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -89.59 -27.56 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.486 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.635 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -50.57 -31.98 9.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.547 -178.236 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -57.62 -39.38 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.251 0.548 . . . . 0.0 110.186 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -78.57 -38.37 40.35 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.898 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.297 -179.744 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.194 0 CA-C-O 121.222 0.534 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -63.93 -57.87 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.975 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.706 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -69.81 -25.21 63.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 110.386 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.676 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 42.9 t80 -68.18 -41.13 81.93 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 121.97 0.891 . . . . 0.0 109.014 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -37.85 77.0 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 6' ' ' HIS . 11.2 mttm -67.26 -38.72 85.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.574 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.6 pp -71.57 -30.55 65.98 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.637 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 41.5 t -66.96 -37.01 78.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.142 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -37.4 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -96.2 -19.13 19.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -54.32 -35.23 29.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.358 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.78 -38.94 89.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -71.45 -42.33 68.33 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 120.971 0.415 . . . . 0.0 109.897 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.048 -179.723 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.681 0.277 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -60.83 -64.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -24.46 62.79 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.159 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -67.02 -44.56 79.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.176 0.512 . . . . 0.0 109.78 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -60.64 -29.85 69.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.567 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -62.91 -37.92 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.94 -42.6 73.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.671 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 54.6 t -55.66 -37.08 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.534 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -38.94 71.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.26 0.552 . . . . 0.0 109.975 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -108.25 16.17 23.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.29 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.671 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 2.4 p -60.64 -36.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.885 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.27 92.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.87 -38.8 92.44 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.965 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.638 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -63.98 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.668 0.27 . . . . 0.0 111.296 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -26.4 62.27 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.424 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 11' ' ' VAL . 34.5 t80 -67.73 -42.35 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 109.82 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 43.5 t30 -58.26 -36.58 73.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.46 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.35 -37.12 84.46 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 0.0 109.905 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.53 -38.32 86.92 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.435 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 91.3 t -66.34 -36.86 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.2 mmpt? -57.04 -42.43 80.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -80.78 -31.07 35.89 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.123 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -57.32 -43.88 83.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.175 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.25 -37.9 84.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 109.905 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.54 -40.95 80.48 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.769 -178.484 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 22.1 pttm -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.18 -23.25 66.42 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.483 -179.52 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.602 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 t80 -75.86 -43.09 47.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 18.5 t-20 -60.87 -41.91 96.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.778 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 71.7 mmtt -55.75 -46.1 77.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.837 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 4.5 pp -72.37 -35.66 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 7' ' ' PHE . 72.3 t -63.12 -38.09 81.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 O-C-N 122.947 0.154 . . . . 0.0 110.76 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.6 mmpt? -56.05 -41.38 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 109.164 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.0 -38.17 64.18 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.446 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 10' ' ' LEU . 51.7 t -60.32 -50.79 78.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -58.45 -40.39 82.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.056 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -66.82 -44.62 80.68 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.417 0.627 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -55.51 -35.14 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.765 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -71.56 -22.57 61.73 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.003 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 11' ' ' VAL . 28.6 t80 -80.71 -41.35 23.78 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.67 -36.06 71.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.58 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -58.4 -43.3 88.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.167 0.508 . . . . 0.0 109.695 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.5 mt -67.7 -39.28 84.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 7' ' ' PHE . 70.7 t -58.16 -38.16 66.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.733 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -60.52 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -70.51 -41.4 72.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.725 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 10' ' ' LEU . 76.5 t -58.42 -38.47 70.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.734 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -54.57 -45.81 73.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.012 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.97 -39.34 76.04 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.674 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.415 . . . . 0.0 110.616 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.509 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -66.24 -22.32 66.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -16.99 61.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.796 0.332 . . . . 0.0 110.534 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.581 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 27.0 t80 -76.54 -53.25 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.602 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 5.8 p-10 -61.8 -25.83 67.73 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.225 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 59.1 mmtt -57.44 -31.04 65.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.427 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.5 pp -99.26 -20.45 16.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 8' ' ' ASN . 9.8 t -54.35 -40.76 49.76 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.342 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.602 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -58.97 -36.99 75.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.337 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -76.21 -35.9 58.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' LEU . 57.2 t -62.58 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -59.9 -36.39 76.88 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.69 -41.79 83.11 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.961 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 109.936 179.752 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.988 0.423 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.542 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.76 -32.66 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.542 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -68.65 -25.31 64.76 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.869 0.366 . . . . 0.0 110.372 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' HG23 ' A' ' 11' ' ' VAL . 28.5 t80 -81.73 -43.69 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.768 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.19 -33.32 69.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.96 -40.15 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.6 mt -70.71 -43.13 69.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 7' ' ' PHE . 94.1 t -57.3 -32.87 42.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.434 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -57.97 -38.93 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -80.75 -37.81 29.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.661 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' LEU . 71.1 t -55.47 -41.26 62.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -57.88 -43.76 86.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.96 -38.34 79.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.121 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.7 m . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.103 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.973 0.416 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.22 161.81 54.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.594 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -77.15 48.69 0.63 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.025 0.44 . . . . 0.0 111.305 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -66.85 -2.73 5.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.167 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.95 -43.4 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -20.9 55.51 Favored 'General case' 0 C--O 1.228 -0.07 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.184 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -74.93 -42.75 57.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -60.19 -30.57 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.798 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.74 -42.46 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.316 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.59 -39.78 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.0 -35.12 46.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.33 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 33.7 mmtp -58.63 -35.5 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -77.25 -38.43 51.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 18' ' ' ILE . 73.3 t -60.06 -42.27 89.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.008 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 2.7 pptp? -60.35 -36.59 78.36 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.483 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 85.7 t60 -73.14 -39.93 65.3 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.3 m -57.9 -44.5 86.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.15 0.5 . . . . 0.0 109.936 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.0 mt -62.02 -46.1 97.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.801 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -66.28 0.56 Allowed 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.455 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' NE2' ' A' ' 23' ' ' HIS . 85.2 tt0 -43.4 -36.21 1.85 Allowed 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -75.34 -51.07 14.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.47 -10.71 23.2 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' NE2' ' HA ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -70.78 -9.73 58.01 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 122.118 -0.364 . . . . 0.0 111.229 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.47 ' O ' ' HB ' ' A' ' 28' ' ' THR . 2.7 m -61.17 -30.49 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.646 0.26 . . . . 0.0 110.482 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.49 -22.77 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.096 0.474 . . . . 0.0 110.731 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -101.78 -51.7 3.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.582 0.706 . . . . 0.0 110.668 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 38.6 t70 -62.65 -19.8 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.464 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 24' ' ' VAL . 8.9 t -53.23 -39.5 63.82 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.563 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.57 19.29 19.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG12 HG13 ' A' ' 31' ' ' ILE . 78.8 t -89.41 -45.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.082 0.468 . . . . 0.0 109.931 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.557 HG13 HG12 ' A' ' 30' ' ' VAL . 72.8 mt -130.43 -45.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.877 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 28' ' ' THR . . . -57.71 -69.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.59 34.64 3.47 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.4 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -163.3 32.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 110.39 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.26 -65.64 0.12 Allowed Glycine 0 C--O 1.221 -0.7 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.96 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.25 90.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.051 0.453 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.86 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.196 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.67 -50.58 28.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.405 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -57.83 -35.19 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 0.0 110.189 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.0 -24.14 52.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.45 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -60.27 2.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.483 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.5 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.294 -179.816 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.0 0.429 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -168.06 43.75 0.23 Allowed Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.951 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -78.22 -23.62 47.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.8 ttt-85 -59.41 -19.79 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.917 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 2' ' ' GLY . 18.1 ptpt -54.42 -48.73 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.584 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.31 -24.33 61.3 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.701 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.4 t80 -70.56 -47.03 62.28 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 46.4 t30 -61.3 -35.34 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.608 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.88 -38.65 82.82 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 6' ' ' HIS . 21.5 mt -67.93 -51.89 42.51 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.679 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 95.4 t -48.4 -36.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 124.69 1.244 . . . . 0.0 112.829 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 8.7 mmpt? -56.43 -36.33 68.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.243 0.544 . . . . 0.0 109.834 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -97.37 -36.11 10.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.196 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.679 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 4.8 t -60.65 -36.82 73.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 C-N-CA 124.547 1.139 . . . . 0.0 111.217 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -59.34 -37.9 79.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -73.21 -41.14 64.12 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.853 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 m -59.61 -45.01 93.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.6 mt -59.63 -42.39 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.69 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -66.93 -42.53 85.16 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.418 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 27.5 mm-40 -53.77 -48.98 69.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.459 . . . . 0.0 111.662 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -53.2 -40.55 64.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.592 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.49 -30.25 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.643 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -77.6 5.52 8.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.633 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 20' ' ' GLU . 10.6 m -62.29 -27.65 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.81 -46.22 75.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HE3' ' HB2' ' A' ' 23' ' ' HIS . 16.0 pttp -76.28 -36.71 58.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.07 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -100.24 23.86 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.833 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -60.51 -36.91 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.126 0.489 . . . . 0.0 110.503 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.72 38.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.297 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.32 -41.27 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.947 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.591 HD12 ' H ' ' A' ' 31' ' ' ILE . 5.4 mp -64.81 -42.07 93.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.19 91.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.833 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.02 -40.41 98.87 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.268 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -103.75 57.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 111.587 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.68 -59.94 0.28 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.19 75.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.76 79.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.19 -44.31 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.093 0.473 . . . . 0.0 110.23 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.34 -37.17 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.918 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.55 76.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.85 -42.21 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.414 -179.829 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.704 0.287 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.538 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -174.85 46.12 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -71.31 -24.1 62.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.702 0.287 . . . . 0.0 111.602 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HA ' ' HB3' ' A' ' 7' ' ' PHE . 78.9 mtt-85 -60.75 -25.76 66.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 2' ' ' GLY . 24.5 pttm -60.73 -47.14 87.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.672 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -22.85 24.33 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.798 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.52 ' HD2' HD12 ' A' ' 10' ' ' LEU . 25.6 t80 -67.49 -39.22 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.87 -28.99 69.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.08 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -64.85 -40.32 94.97 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 7' ' ' PHE . 11.5 mt -66.34 -42.4 88.2 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.635 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 61.7 t -58.32 -36.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.272 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -38.14 70.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.026 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -89.59 -27.56 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.486 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.635 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -50.57 -31.98 9.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.547 -178.236 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -57.62 -39.38 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.251 0.548 . . . . 0.0 110.186 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -78.57 -38.37 40.35 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.898 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -59.3 -45.01 92.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.297 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 14' ' ' VAL . 91.4 mt -58.38 -43.96 87.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.127 0.489 . . . . 0.0 109.683 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -66.02 -49.2 68.6 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.367 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 27.1 mm-40 -53.45 -46.78 70.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -51.78 -42.42 62.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.26 -37.59 9.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -61.94 -21.42 64.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.106 -177.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' N ' ' HD2' ' A' ' 23' ' ' HIS . 9.0 m -64.33 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.993 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.29 -24.11 41.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.057 0.456 . . . . 0.0 109.926 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.688 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 13.5 ptpt -104.11 -42.02 5.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.622 ' HA ' HD12 ' A' ' 31' ' ' ILE . 25.2 t70 -71.96 -31.68 66.55 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 m -52.47 -58.27 7.27 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.15 -15.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' ' 26' ' ' LYS . 2.2 t -60.15 -41.21 85.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 O-C-N 122.503 -0.123 . . . . 0.0 110.945 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 27' ' ' ASP . 91.0 mt -63.79 -39.05 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.46 97.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.845 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 37' ' ' ALA . . . -69.69 -49.71 35.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.668 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -88.08 39.75 0.91 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.464 . . . . 0.0 110.567 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -158.23 -62.55 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.455 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -46.02 81.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.034 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 33' ' ' GLY . . . -65.0 -37.42 87.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.436 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.62 -49.1 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.418 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.26 -34.61 70.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 110.651 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.8 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.411 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.69 -50.95 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.573 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.484 -179.544 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.89 -136.78 3.73 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.3 p90 47.38 30.64 1.61 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 112.819 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.78 -17.7 22.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.222 0.534 . . . . 0.0 110.01 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -63.93 -57.87 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.975 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.706 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -69.81 -25.21 63.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 110.386 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.676 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 42.9 t80 -68.18 -41.13 81.93 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 121.97 0.891 . . . . 0.0 109.014 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -37.85 77.0 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 6' ' ' HIS . 11.2 mttm -67.26 -38.72 85.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.574 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.6 pp -71.57 -30.55 65.98 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.637 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 41.5 t -66.96 -37.01 78.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.142 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -37.4 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -96.2 -19.13 19.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -54.32 -35.23 29.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.358 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.78 -38.94 89.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -71.45 -42.33 68.33 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 120.971 0.415 . . . . 0.0 109.897 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -58.49 -47.05 85.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.048 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.46 -41.44 92.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.99 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -60.64 -45.06 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.424 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HA ' ' CE1' ' A' ' 23' ' ' HIS . 24.9 mm-40 -47.63 -51.08 22.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.143 0.496 . . . . 0.0 111.51 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -51.72 -40.44 60.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.3 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.85 -6.51 17.62 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -95.77 -12.83 24.74 Favored 'General case' 0 C--O 1.208 -1.093 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -58.04 -27.38 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 123.448 0.467 . . . . 0.0 111.486 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.13 -37.2 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.123 0.487 . . . . 0.0 109.972 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 13.3 ptmm? -100.52 -41.01 7.15 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.799 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.811 ' HA ' HG12 ' A' ' 30' ' ' VAL . 85.3 m-20 -98.74 42.0 1.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.564 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.0 t -63.77 -43.73 95.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 4.42 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.437 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 27' ' ' ASP . 9.4 p -68.32 -31.54 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 121.069 0.461 . . . . 0.0 109.866 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.52 -36.74 78.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.85 48.15 0.8 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.434 0.635 . . . . 0.0 110.016 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.7 -34.85 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -137.19 54.61 1.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.468 . . . . 0.0 110.329 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.14 -43.86 0.09 OUTLIER Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.53 76.12 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.667 0.387 . . . . 0.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.19 87.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.345 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -64.5 -43.85 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.701 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 t -61.82 -35.84 70.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.376 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.12 72.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.321 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.08 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.593 -179.774 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.42 0.152 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.47 168.68 45.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.974 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.625 ' HB2' ' NE2' ' A' ' 6' ' ' HIS . 22.3 p90 43.22 40.62 2.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.976 0.893 . . . . 0.0 111.618 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -68.76 -25.87 64.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.561 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -60.83 -64.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.625 ' NE2' ' HB2' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -70.56 -24.46 62.79 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.159 -179.093 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -67.02 -44.56 79.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.176 0.512 . . . . 0.0 109.78 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -60.64 -29.85 69.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.567 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -62.91 -37.92 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.94 -42.6 73.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.671 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 54.6 t -55.66 -37.08 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.534 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -38.94 71.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.26 0.552 . . . . 0.0 109.975 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -108.25 16.17 23.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.29 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.671 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 2.4 p -60.64 -36.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.885 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.27 92.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.87 -38.8 92.44 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.965 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.04 -43.76 91.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.638 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 14' ' ' VAL . 70.4 mt -59.49 -50.74 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 m -69.89 -45.77 66.9 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.353 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.721 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 38.4 tt0 -57.03 -46.53 82.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -57.34 -36.01 70.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.667 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.8 -32.14 14.77 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.721 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -78.96 13.01 1.9 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.617 -178.514 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 20' ' ' GLU . 5.8 m -65.58 -21.53 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.078 0.466 . . . . 0.0 109.848 177.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.4 86.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.835 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 20.3 ptmt -92.43 -40.89 10.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.621 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 24.7 t70 -81.17 15.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.308 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 t -64.37 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 32' ' ' ALA . . . -171.61 42.5 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.832 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.998 HG13 HD12 ' A' ' 31' ' ' ILE . 4.4 p -68.0 -39.68 81.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.998 HD12 HG13 ' A' ' 30' ' ' VAL . 3.3 mp -72.16 -44.5 64.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . . . -62.32 -44.3 96.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.098 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.41 99.71 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.509 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -62.53 -41.95 99.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.525 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -63.21 -41.62 99.58 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.31 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.799 0.333 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.53 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 35' ' ' GLY . 11.4 p -65.81 -39.8 85.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.186 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 35' ' ' GLY . 94.0 t -64.07 -39.96 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.087 0.47 . . . . 0.0 110.104 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.816 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.31 -45.1 73.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.346 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.413 0.149 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.99 -33.76 1.35 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.93 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -61.98 -27.68 69.02 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -69.91 -14.17 62.6 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -63.98 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.668 0.27 . . . . 0.0 111.296 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -26.4 62.27 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.424 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 11' ' ' VAL . 34.5 t80 -67.73 -42.35 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 109.82 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 43.5 t30 -58.26 -36.58 73.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.46 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.35 -37.12 84.46 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 0.0 109.905 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.53 -38.32 86.92 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.435 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 91.3 t -66.34 -36.86 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.2 mmpt? -57.04 -42.43 80.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -80.78 -31.07 35.89 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.123 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -57.32 -43.88 83.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.175 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.25 -37.9 84.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 109.905 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.54 -40.95 80.48 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m -62.86 -55.08 29.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.769 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.28 -45.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -72.98 -43.78 61.85 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.18 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.703 ' HA ' ' CE1' ' A' ' 23' ' ' HIS . 43.4 tt0 -57.25 -45.09 84.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.2 m -53.12 -35.98 60.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.503 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.73 -36.03 10.36 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.703 ' CE1' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -74.03 13.81 0.49 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -177.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 20' ' ' GLU . 15.9 m -62.8 -20.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.622 178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.54 84.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.163 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.628 ' HE2' ' HB2' ' A' ' 23' ' ' HIS . 60.6 pttt -96.55 -43.6 7.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.565 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.696 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -93.33 41.43 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 179.422 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 24' ' ' VAL . 9.4 t -66.05 -42.28 89.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 0.0 110.542 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.59 25.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.288 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 27' ' ' ASP . 13.2 p -73.01 -32.36 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.197 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' C ' ' H ' ' A' ' 33' ' ' GLY . 56.7 mt -66.85 -30.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.13 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.34 38.7 0.14 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.118 0.485 . . . . 0.0 111.394 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' ALA . . . 178.23 -57.36 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -85.36 52.35 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.314 0.578 . . . . 0.0 110.593 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.41 -60.52 0.21 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.581 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.41 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.96 0.409 . . . . 0.0 110.764 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 33' ' ' GLY . . . -70.63 -39.01 73.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.011 0.434 . . . . 0.0 110.301 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.48 -47.92 90.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.303 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -38.71 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.938 0.399 . . . . 0.0 110.38 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.17 97.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.744 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.46 87.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.583 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.7 mmt-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.58 0.228 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -131.63 -49.24 0.1 Allowed Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.442 ' C ' ' H ' ' A' ' 5' ' ' LYS . 22.0 t80 -91.17 148.91 22.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 71.33 -18.03 0.3 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.292 0.37 . . . . 0.0 111.629 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 22.1 pttm -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.18 -23.25 66.42 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.483 -179.52 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.602 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 t80 -75.86 -43.09 47.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 18.5 t-20 -60.87 -41.91 96.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.778 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 71.7 mmtt -55.75 -46.1 77.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.837 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 4.5 pp -72.37 -35.66 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 7' ' ' PHE . 72.3 t -63.12 -38.09 81.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 O-C-N 122.947 0.154 . . . . 0.0 110.76 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.6 mmpt? -56.05 -41.38 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 109.164 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.0 -38.17 64.18 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.446 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 10' ' ' LEU . 51.7 t -60.32 -50.79 78.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -58.45 -40.39 82.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.056 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -66.82 -44.62 80.68 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.4 m -62.42 -47.07 85.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' VAL . 91.5 mt -56.07 -48.89 78.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 110.028 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.527 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 50.3 m -66.53 -53.92 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.671 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 23' ' ' HIS . 35.6 tt0 -46.3 -36.38 6.22 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.756 0.423 . . . . 0.0 111.551 -179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -49.27 -49.22 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.921 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.83 39.62 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -120.23 11.97 11.68 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.998 179.05 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.553 ' O ' ' HB ' ' A' ' 28' ' ' THR . 21.4 t -62.93 -39.77 86.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.292 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.95 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HD3' ' HB2' ' A' ' 23' ' ' HIS . 11.8 ptmm? -90.66 -39.94 12.18 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.532 ' HB3' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -100.29 19.93 15.67 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 122.894 0.477 . . . . 0.0 111.051 -179.427 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.553 ' HB ' ' O ' ' A' ' 24' ' ' VAL . 4.9 t -61.31 -48.15 82.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.1 -33.21 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.173 0.511 . . . . 0.0 110.149 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 27' ' ' ASP . 97.9 t -57.41 -50.52 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.531 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.532 HG13 ' HB3' ' A' ' 27' ' ' ASP . 64.9 mt -78.5 -43.62 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.58 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.75 80.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.082 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.67 -54.45 3.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.204 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 t -94.92 51.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.301 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -174.83 -66.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.461 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.53 -47.13 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.77 89.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.732 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.03 -41.04 91.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 35' ' ' GLY . 52.3 t -61.01 -39.85 83.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.62 76.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.403 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 -50.25 42.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.535 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.981 179.418 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.18 146.81 6.33 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.58 48.26 0.65 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -66.04 -17.48 64.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.417 0.627 . . . . 0.0 109.9 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -55.51 -35.14 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.765 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -71.56 -22.57 61.73 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.003 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 11' ' ' VAL . 28.6 t80 -80.71 -41.35 23.78 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.67 -36.06 71.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.58 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -58.4 -43.3 88.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.167 0.508 . . . . 0.0 109.695 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.5 mt -67.7 -39.28 84.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 7' ' ' PHE . 70.7 t -58.16 -38.16 66.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.733 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -60.52 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -70.51 -41.4 72.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.725 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 10' ' ' LEU . 76.5 t -58.42 -38.47 70.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.734 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -54.57 -45.81 73.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.012 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.97 -39.34 76.04 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.674 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.445 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 24.0 m -55.52 -45.42 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.415 . . . . 0.0 110.616 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' VAL . 78.6 mt -61.03 -41.43 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.324 0.583 . . . . 0.0 110.195 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -67.02 -57.05 7.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' ' 17' ' ' THR . 13.5 pt-20 -56.2 -18.54 10.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -59.43 -47.63 84.73 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' VAL . . . -162.41 43.23 0.13 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.583 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.28 22.81 0.41 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.707 0.289 . . . . 0.0 110.282 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.828 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.2 p -67.09 -22.66 29.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.24 -43.49 41.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.976 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -69.41 -52.96 21.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.109 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -94.13 44.55 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.694 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t -62.55 -43.18 99.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.6 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.85 -38.9 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.114 0.483 . . . . 0.0 110.918 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.05 -54.75 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.126 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 24' ' ' VAL . 73.4 mt -66.35 -55.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.95 89.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -62.78 -41.01 99.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.655 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -83.33 46.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 0.0 111.047 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.5 -70.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.95 77.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . . . -80.69 37.26 0.41 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.461 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.9 t -141.84 -63.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.396 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.49 -41.53 93.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.732 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -24.78 32.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.99 52.26 1.62 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.739 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.418 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.492 0.187 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -173.74 34.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.037 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.33 -20.49 64.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.091 0.472 . . . . 0.0 110.236 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -54.99 -11.5 0.66 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.908 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.509 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -66.24 -22.32 66.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -16.99 61.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.796 0.332 . . . . 0.0 110.534 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.581 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 27.0 t80 -76.54 -53.25 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.602 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 5.8 p-10 -61.8 -25.83 67.73 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.225 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 59.1 mmtt -57.44 -31.04 65.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.427 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.5 pp -99.26 -20.45 16.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 8' ' ' ASN . 9.8 t -54.35 -40.76 49.76 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.342 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.602 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -58.97 -36.99 75.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.337 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -76.21 -35.9 58.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 18' ' ' ILE . 57.2 t -62.58 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -59.9 -36.39 76.88 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.69 -41.79 83.11 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.961 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -65.32 -43.25 91.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 109.936 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 14' ' ' VAL . 38.0 mm -58.33 -43.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 m -70.26 -61.7 1.67 Allowed 'General case' 0 C--O 1.192 -1.963 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.726 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 11.3 tp10 -45.11 -41.78 8.2 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.427 0.691 . . . . 0.0 112.636 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -70.35 -53.55 16.19 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.67 -17.96 32.47 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -79.11 -0.8 33.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.872 0.368 . . . . 0.0 110.568 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 HG13 ' A' ' 31' ' ' ILE . 5.6 p -65.54 -26.12 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.85 -45.0 46.11 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -69.98 -54.77 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.777 0.798 . . . . 0.0 109.772 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.564 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 86.9 m-20 -84.98 38.77 0.73 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.913 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -58.63 -39.69 81.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.71 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.588 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' A' ' 27' ' ' ASP . 75.7 t -65.02 -51.36 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.627 HG13 HG23 ' A' ' 24' ' ' VAL . 48.6 mm -62.94 -48.58 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.04 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.97 96.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.57 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 m -90.46 46.7 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.34 -62.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.977 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.79 -41.67 59.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.33 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.08 98.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.99 0.424 . . . . 0.0 110.586 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.8 m -104.28 32.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.71 -41.8 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.581 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.55 -30.44 63.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.94 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.371 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.973 179.773 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.19 -46.24 0.19 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.962 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.05 34.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 111.365 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -77.65 -11.0 59.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.988 0.423 . . . . 0.0 110.851 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.542 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.76 -32.66 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.542 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -68.65 -25.31 64.76 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.869 0.366 . . . . 0.0 110.372 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' HG23 ' A' ' 11' ' ' VAL . 28.5 t80 -81.73 -43.69 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.768 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.19 -33.32 69.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.96 -40.15 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.6 mt -70.71 -43.13 69.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 7' ' ' PHE . 94.1 t -57.3 -32.87 42.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.434 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -57.97 -38.93 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -80.75 -37.81 29.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.661 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' LEU . 71.1 t -55.47 -41.26 62.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -57.88 -43.76 86.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.96 -38.34 79.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.121 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.7 m -60.87 -44.23 97.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.103 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 14' ' ' VAL . 45.8 mm -59.44 -45.35 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.5 m -63.1 -56.97 12.35 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.53 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 61.1 mm-40 -55.05 -35.34 64.39 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.575 -0.703 . . . . 0.0 112.308 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -77.17 -51.95 10.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -26.08 34.05 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -76.19 15.04 0.62 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.3 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 m -69.33 -23.75 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.71 -44.35 70.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.405 0.621 . . . . 0.0 109.445 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.18 -54.7 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.694 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.09 39.86 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.948 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 9.1 t -65.22 -43.41 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.047 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.58 -29.27 56.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.0 110.555 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 34' ' ' SER . 57.2 t -71.83 -51.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.949 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.88 -58.65 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 28' ' ' THR . . . -68.46 -48.47 64.44 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.78 89.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.6 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 8.6 t -97.84 44.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 110.252 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.25 -87.31 0.07 OUTLIER Glycine 0 C--O 1.22 -0.725 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.252 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.2 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -50.25 34.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.851 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.17 -38.26 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.78 -33.9 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.36 71.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.624 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 50.25 1.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.479 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.324 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 120.492 0.186 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.95 -43.4 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.99 -20.9 55.51 Favored 'General case' 0 C--O 1.228 -0.07 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.184 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -74.93 -42.75 57.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -60.19 -30.57 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.798 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.74 -42.46 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.316 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.59 -39.78 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.0 -35.12 46.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.33 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 33.7 mmtp -58.63 -35.5 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -77.25 -38.43 51.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.06 -42.27 89.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.008 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 2.7 pptp? -60.35 -36.59 78.36 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.483 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 85.7 t60 -73.14 -39.93 65.3 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.3 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.15 0.5 . . . . 0.0 109.936 179.393 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.8 ttt-85 . . . . . 0 C--O 1.222 -0.391 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -54.42 -48.73 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.584 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -72.31 -24.33 61.3 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.701 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.4 t80 -70.56 -47.03 62.28 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 46.4 t30 -61.3 -35.34 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.608 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.88 -38.65 82.82 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 6' ' ' HIS . 21.5 mt -67.93 -51.89 42.51 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.679 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 95.4 t -48.4 -36.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 124.69 1.244 . . . . 0.0 112.829 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 8.7 mmpt? -56.43 -36.33 68.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.243 0.544 . . . . 0.0 109.834 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -97.37 -36.11 10.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.196 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.679 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 4.8 t -60.65 -36.82 73.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 C-N-CA 124.547 1.139 . . . . 0.0 111.217 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -59.34 -37.9 79.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -73.21 -41.14 64.12 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.853 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HA ' ' HB3' ' A' ' 7' ' ' PHE . 78.9 mtt-85 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -60.73 -47.14 87.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.672 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -87.75 -22.85 24.33 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.798 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.52 ' HD2' HD12 ' A' ' 10' ' ' LEU . 25.6 t80 -67.49 -39.22 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.87 -28.99 69.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.08 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -64.85 -40.32 94.97 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 7' ' ' PHE . 11.5 mt -66.34 -42.4 88.2 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.635 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 61.7 t -58.32 -36.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.272 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -38.14 70.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.026 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -89.59 -27.56 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.486 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.635 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -50.57 -31.98 9.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.547 -178.236 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -57.62 -39.38 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.251 0.548 . . . . 0.0 110.186 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -78.57 -38.37 40.35 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.898 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.297 -179.744 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.194 0 CA-C-O 121.222 0.534 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -63.93 -57.87 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.975 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.706 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -69.81 -25.21 63.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 110.386 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.676 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 42.9 t80 -68.18 -41.13 81.93 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 121.97 0.891 . . . . 0.0 109.014 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -37.85 77.0 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 6' ' ' HIS . 11.2 mttm -67.26 -38.72 85.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.574 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.6 pp -71.57 -30.55 65.98 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.637 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 41.5 t -66.96 -37.01 78.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.142 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -37.4 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -96.2 -19.13 19.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -54.32 -35.23 29.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.358 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.78 -38.94 89.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -71.45 -42.33 68.33 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 120.971 0.415 . . . . 0.0 109.897 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.048 -179.723 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.681 0.277 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -60.83 -64.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -24.46 62.79 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.159 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -67.02 -44.56 79.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.176 0.512 . . . . 0.0 109.78 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -60.64 -29.85 69.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.567 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -62.91 -37.92 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.94 -42.6 73.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.671 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 54.6 t -55.66 -37.08 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.534 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -38.94 71.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.26 0.552 . . . . 0.0 109.975 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -108.25 16.17 23.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.29 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.671 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 2.4 p -60.64 -36.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.885 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.27 92.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.87 -38.8 92.44 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.965 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.638 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -63.98 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.668 0.27 . . . . 0.0 111.296 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.94 -26.4 62.27 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.424 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 11' ' ' VAL . 34.5 t80 -67.73 -42.35 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 109.82 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 43.5 t30 -58.26 -36.58 73.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.46 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.35 -37.12 84.46 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 0.0 109.905 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.53 -38.32 86.92 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.435 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 91.3 t -66.34 -36.86 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.2 mmpt? -57.04 -42.43 80.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -80.78 -31.07 35.89 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.123 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -57.32 -43.88 83.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.175 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.25 -37.9 84.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 109.905 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.54 -40.95 80.48 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.769 -178.484 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 22.1 pttm -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -66.18 -23.25 66.42 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.483 -179.52 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.602 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 t80 -75.86 -43.09 47.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 18.5 t-20 -60.87 -41.91 96.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.778 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 71.7 mmtt -55.75 -46.1 77.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.837 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 4.5 pp -72.37 -35.66 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 7' ' ' PHE . 72.3 t -63.12 -38.09 81.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 O-C-N 122.947 0.154 . . . . 0.0 110.76 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.6 mmpt? -56.05 -41.38 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 109.164 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.0 -38.17 64.18 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.446 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 10' ' ' LEU . 51.7 t -60.32 -50.79 78.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -58.45 -40.39 82.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.056 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -66.82 -44.62 80.68 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.417 0.627 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -55.51 -35.14 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.765 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -71.56 -22.57 61.73 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.003 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' N ' ' HD2' ' A' ' 6' ' ' HIS . 28.6 t80 -80.71 -41.35 23.78 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.67 -36.06 71.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.58 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -58.4 -43.3 88.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.167 0.508 . . . . 0.0 109.695 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.5 mt -67.7 -39.28 84.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 7' ' ' PHE . 70.7 t -58.16 -38.16 66.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.733 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -60.52 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -70.51 -41.4 72.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 10' ' ' LEU . 76.5 t -58.42 -38.47 70.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.734 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -54.57 -45.81 73.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.012 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.97 -39.34 76.04 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.674 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.415 . . . . 0.0 110.616 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.509 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -66.24 -22.32 66.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.7 -16.99 61.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.796 0.332 . . . . 0.0 110.534 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.581 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 27.0 t80 -76.54 -53.25 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.602 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 5.8 p-10 -61.8 -25.83 67.73 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.225 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 59.1 mmtt -57.44 -31.04 65.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.427 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.5 pp -99.26 -20.45 16.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 8' ' ' ASN . 9.8 t -54.35 -40.76 49.76 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.342 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.602 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -58.97 -36.99 75.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.337 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -76.21 -35.9 58.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' LEU . 57.2 t -62.58 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -59.9 -36.39 76.88 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.69 -41.79 83.11 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.961 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 109.936 179.752 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.988 0.423 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.542 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.76 -32.66 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.542 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -68.65 -25.31 64.76 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.869 0.366 . . . . 0.0 110.372 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' HG23 ' A' ' 11' ' ' VAL . 28.5 t80 -81.73 -43.69 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.768 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.19 -33.32 69.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.96 -40.15 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.6 mt -70.71 -43.13 69.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 7' ' ' PHE . 94.1 t -57.3 -32.87 42.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.434 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -57.97 -38.93 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -80.75 -37.81 29.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.661 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' LEU . 71.1 t -55.47 -41.26 62.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -57.88 -43.76 86.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.96 -38.34 79.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.121 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.7 m . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.103 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.973 0.416 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.22 161.81 54.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.594 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -77.15 48.69 0.63 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.025 0.44 . . . . 0.0 111.305 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -66.85 -2.73 5.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.167 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.95 -43.4 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.99 -20.9 55.51 Favored 'General case' 0 C--O 1.228 -0.07 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.184 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -74.93 -42.75 57.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -60.19 -30.57 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.798 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.74 -42.46 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.316 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.59 -39.78 84.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.0 -35.12 46.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.33 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 33.7 mmtp -58.63 -35.5 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.315 0.579 . . . . 0.0 110.192 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -77.25 -38.43 51.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 18' ' ' ILE . 73.3 t -60.06 -42.27 89.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.008 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 2.7 pptp? -60.35 -36.59 78.36 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.483 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 85.7 t60 -73.14 -39.93 65.3 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.3 m -57.9 -44.5 86.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.15 0.5 . . . . 0.0 109.936 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.0 mt -62.02 -46.1 97.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.801 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -66.28 0.56 Allowed 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.455 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' NE2' ' A' ' 23' ' ' HIS . 85.2 tt0 -43.4 -36.21 1.85 Allowed 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -75.34 -51.07 14.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.47 -10.71 23.2 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' NE2' ' HA ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -70.78 -9.73 58.01 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 122.118 -0.364 . . . . 0.0 111.229 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.47 ' O ' ' HB ' ' A' ' 28' ' ' THR . 2.7 m -61.17 -30.49 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.646 0.26 . . . . 0.0 110.482 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.49 -22.77 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.096 0.474 . . . . 0.0 110.731 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -101.78 -51.7 3.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.582 0.706 . . . . 0.0 110.668 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' HA ' ' CG2' ' A' ' 30' ' ' VAL . 38.6 t70 -62.65 -19.8 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.464 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 24' ' ' VAL . 8.9 t -53.23 -39.5 63.82 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.563 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.57 19.29 19.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG12 HG13 ' A' ' 31' ' ' ILE . 78.8 t -89.41 -45.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.082 0.468 . . . . 0.0 109.931 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.557 HG13 HG12 ' A' ' 30' ' ' VAL . 72.8 mt -130.43 -45.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.877 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 28' ' ' THR . . . -57.71 -69.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.59 34.64 3.47 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.4 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -163.3 32.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 110.39 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.26 -65.64 0.12 Allowed Glycine 0 C--O 1.221 -0.7 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.96 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.25 90.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.051 0.453 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -31.86 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.196 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.67 -50.58 28.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.405 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -57.83 -35.19 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 0.0 110.189 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.0 -24.14 52.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.45 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -60.27 2.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.483 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.5 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.294 -179.816 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.0 0.429 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -168.06 43.75 0.23 Allowed Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.951 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -78.22 -23.62 47.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.8 ttt-85 -59.41 -19.79 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.917 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 2' ' ' GLY . 18.1 ptpt -54.42 -48.73 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.584 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -72.31 -24.33 61.3 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.701 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.4 t80 -70.56 -47.03 62.28 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 46.4 t30 -61.3 -35.34 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.608 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.88 -38.65 82.82 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 6' ' ' HIS . 21.5 mt -67.93 -51.89 42.51 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.679 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 95.4 t -48.4 -36.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 124.69 1.244 . . . . 0.0 112.829 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 8.7 mmpt? -56.43 -36.33 68.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.243 0.544 . . . . 0.0 109.834 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -97.37 -36.11 10.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.196 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.679 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 4.8 t -60.65 -36.82 73.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 C-N-CA 124.547 1.139 . . . . 0.0 111.217 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -59.34 -37.9 79.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -73.21 -41.14 64.12 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.853 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 m -59.61 -45.01 93.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.6 mt -59.63 -42.39 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.69 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -66.93 -42.53 85.16 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.418 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 27.5 mm-40 -53.77 -48.98 69.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.459 . . . . 0.0 111.662 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -53.2 -40.55 64.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.592 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.49 -30.25 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.643 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -77.6 5.52 8.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.633 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 20' ' ' GLU . 10.6 m -62.29 -27.65 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.747 0.308 . . . . 0.0 111.036 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.81 -46.22 75.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HE3' ' HB2' ' A' ' 23' ' ' HIS . 16.0 pttp -76.28 -36.71 58.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.07 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -100.24 23.86 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.833 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -60.51 -36.91 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.126 0.489 . . . . 0.0 110.503 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.72 38.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.297 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.32 -41.27 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.947 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.591 HD12 ' H ' ' A' ' 31' ' ' ILE . 5.4 mp -64.81 -42.07 93.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.19 91.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.833 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.02 -40.41 98.87 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.268 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -103.75 57.73 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 111.587 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.68 -59.94 0.28 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.19 75.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.76 79.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.19 -44.31 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.093 0.473 . . . . 0.0 110.23 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.34 -37.17 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.918 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.55 76.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.85 -42.21 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.414 -179.829 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.704 0.287 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.538 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -174.85 46.12 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.42 ' O ' ' HD2' ' A' ' 6' ' ' HIS . 33.6 p90 -71.31 -24.1 62.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.702 0.287 . . . . 0.0 111.602 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HA ' ' HB3' ' A' ' 7' ' ' PHE . 78.9 mtt-85 -60.75 -25.76 66.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 2' ' ' GLY . 24.5 pttm -60.73 -47.14 87.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.672 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.42 ' HD2' ' O ' ' A' ' 3' ' ' PHE . 0.6 OUTLIER -87.75 -22.85 24.33 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.798 179.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.52 ' HD2' HD12 ' A' ' 10' ' ' LEU . 25.6 t80 -67.49 -39.22 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.87 -28.99 69.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.08 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -64.85 -40.32 94.97 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 7' ' ' PHE . 11.5 mt -66.34 -42.4 88.2 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.635 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 61.7 t -58.32 -36.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.272 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -38.14 70.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.026 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -89.59 -27.56 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.486 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.635 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -50.57 -31.98 9.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.547 -178.236 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -57.62 -39.38 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.251 0.548 . . . . 0.0 110.186 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -78.57 -38.37 40.35 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.898 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -59.3 -45.01 92.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.297 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 14' ' ' VAL . 91.4 mt -58.38 -43.96 87.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.127 0.489 . . . . 0.0 109.683 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -66.02 -49.2 68.6 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.367 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 27.1 mm-40 -53.45 -46.78 70.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -51.78 -42.42 62.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.26 -37.59 9.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -61.94 -21.42 64.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.106 -177.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' N ' ' HD2' ' A' ' 23' ' ' HIS . 9.0 m -64.33 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.993 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.29 -24.11 41.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.057 0.456 . . . . 0.0 109.926 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.688 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 13.5 ptpt -104.11 -42.02 5.66 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.622 ' HA ' HD12 ' A' ' 31' ' ' ILE . 25.2 t70 -71.96 -31.68 66.55 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 m -52.47 -58.27 7.27 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.15 -15.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' ' 26' ' ' LYS . 2.2 t -60.15 -41.21 85.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 O-C-N 122.503 -0.123 . . . . 0.0 110.945 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 27' ' ' ASP . 91.0 mt -63.79 -39.05 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.46 97.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.845 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 37' ' ' ALA . . . -69.69 -49.71 35.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.668 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -88.08 39.75 0.91 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.464 . . . . 0.0 110.567 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -158.23 -62.55 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.455 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -46.02 81.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.034 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 33' ' ' GLY . . . -65.0 -37.42 87.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.436 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.62 -49.1 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.418 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.26 -34.61 70.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.002 0.43 . . . . 0.0 110.651 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.8 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.411 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.69 -50.95 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.573 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.484 -179.544 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.89 -136.78 3.73 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.3 p90 47.38 30.64 1.61 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 112.819 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.78 -17.7 22.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.222 0.534 . . . . 0.0 110.01 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -63.93 -57.87 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.975 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.706 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -69.81 -25.21 63.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.029 0.442 . . . . 0.0 110.386 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.676 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 42.9 t80 -68.18 -41.13 81.93 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-O 121.97 0.891 . . . . 0.0 109.014 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -37.85 77.0 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' A' ' 6' ' ' HIS . 11.2 mttm -67.26 -38.72 85.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.574 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.6 pp -71.57 -30.55 65.98 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.637 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 41.5 t -66.96 -37.01 78.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.142 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -37.4 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -96.2 -19.13 19.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -54.32 -35.23 29.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.358 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -61.78 -38.94 89.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -71.45 -42.33 68.33 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 120.971 0.415 . . . . 0.0 109.897 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -58.49 -47.05 85.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.048 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.46 -41.44 92.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.99 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -60.64 -45.06 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.424 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 24.9 mm-40 -47.63 -51.08 22.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.143 0.496 . . . . 0.0 111.51 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -51.72 -40.44 60.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.3 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.85 -6.51 17.62 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -95.77 -12.83 24.74 Favored 'General case' 0 C--O 1.208 -1.093 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' A' ' 23' ' ' HIS . 14.4 p -58.04 -27.38 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 123.448 0.467 . . . . 0.0 111.486 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.13 -37.2 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.123 0.487 . . . . 0.0 109.972 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 13.3 ptmm? -100.52 -41.01 7.15 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.799 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.811 ' HA ' HG12 ' A' ' 30' ' ' VAL . 85.3 m-20 -98.74 42.0 1.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.564 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.0 t -63.77 -43.73 95.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.763 0.316 . . . . 0.0 111.255 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.33 4.42 0.7 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.437 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 27' ' ' ASP . 9.4 p -68.32 -31.54 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 CA-C-O 121.069 0.461 . . . . 0.0 109.866 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.52 -36.74 78.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.85 48.15 0.8 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.434 0.635 . . . . 0.0 110.016 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.7 -34.85 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -137.19 54.61 1.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.468 . . . . 0.0 110.329 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.14 -43.86 0.09 OUTLIER Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.53 76.12 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.667 0.387 . . . . 0.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.19 87.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.345 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -64.5 -43.85 96.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.701 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 t -61.82 -35.84 70.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.376 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.12 72.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.321 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.08 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.593 -179.774 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.42 0.152 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.47 168.68 45.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.974 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.625 ' HB2' ' NE2' ' A' ' 6' ' ' HIS . 22.3 p90 43.22 40.62 2.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.976 0.893 . . . . 0.0 111.618 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -68.76 -25.87 64.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.561 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -60.83 -64.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.625 ' NE2' ' HB2' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -70.56 -24.46 62.79 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.159 -179.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -67.02 -44.56 79.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.176 0.512 . . . . 0.0 109.78 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -60.64 -29.85 69.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.567 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -62.91 -37.92 88.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.94 -42.6 73.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.671 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 54.6 t -55.66 -37.08 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.534 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -38.94 71.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.26 0.552 . . . . 0.0 109.975 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -108.25 16.17 23.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.29 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.671 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 2.4 p -60.64 -36.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.885 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.27 92.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.87 -38.8 92.44 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.965 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -59.04 -43.76 91.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.077 0.465 . . . . 0.0 110.638 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 14' ' ' VAL . 70.4 mt -59.49 -50.74 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 m -69.89 -45.77 66.9 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.353 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.721 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 38.4 tt0 -57.03 -46.53 82.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -57.34 -36.01 70.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.667 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.8 -32.14 14.77 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.721 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -78.96 13.01 1.9 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.617 -178.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 20' ' ' GLU . 5.8 m -65.58 -21.53 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.078 0.466 . . . . 0.0 109.848 177.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.4 86.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.835 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 20.3 ptmt -92.43 -40.89 10.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.621 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 24.7 t70 -81.17 15.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.308 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 t -64.37 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 32' ' ' ALA . . . -171.61 42.5 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.832 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.998 HG13 HD12 ' A' ' 31' ' ' ILE . 4.4 p -68.0 -39.68 81.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.998 HD12 HG13 ' A' ' 30' ' ' VAL . 3.3 mp -72.16 -44.5 64.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . . . -62.32 -44.3 96.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.098 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.41 99.71 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.509 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -62.53 -41.95 99.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.525 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -63.21 -41.62 99.58 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.31 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.799 0.333 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.53 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 35' ' ' GLY . 11.4 p -65.81 -39.8 85.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.186 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 35' ' ' GLY . 94.0 t -64.07 -39.96 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.087 0.47 . . . . 0.0 110.104 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.816 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.31 -45.1 73.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.106 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.346 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.413 0.149 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.99 -33.76 1.35 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.93 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -61.98 -27.68 69.02 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -69.91 -14.17 62.6 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -63.98 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.668 0.27 . . . . 0.0 111.296 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.94 -26.4 62.27 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.424 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 11' ' ' VAL . 34.5 t80 -67.73 -42.35 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 109.82 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 43.5 t30 -58.26 -36.58 73.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.46 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.35 -37.12 84.46 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 0.0 109.905 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.53 -38.32 86.92 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.435 ' HA ' ' HB ' ' A' ' 14' ' ' VAL . 91.3 t -66.34 -36.86 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.2 mmpt? -57.04 -42.43 80.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -80.78 -31.07 35.89 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.123 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -57.32 -43.88 83.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.175 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.25 -37.9 84.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 109.905 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.54 -40.95 80.48 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m -62.86 -55.08 29.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.769 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.28 -45.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -72.98 -43.78 61.85 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.18 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.783 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 43.4 tt0 -57.25 -45.09 84.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.2 m -53.12 -35.98 60.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.503 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.73 -36.03 10.36 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.783 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -74.03 13.81 0.49 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -177.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 20' ' ' GLU . 15.9 m -62.8 -20.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.622 178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.54 84.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.163 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.628 ' HE2' ' HB2' ' A' ' 23' ' ' HIS . 60.6 pttt -96.55 -43.6 7.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.565 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.696 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -93.33 41.43 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 179.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 24' ' ' VAL . 9.4 t -66.05 -42.28 89.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 0.0 110.542 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.59 25.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.288 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.696 HG12 ' HA ' ' A' ' 27' ' ' ASP . 13.2 p -73.01 -32.36 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.197 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' C ' ' H ' ' A' ' 33' ' ' GLY . 56.7 mt -66.85 -30.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.13 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.34 38.7 0.14 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.118 0.485 . . . . 0.0 111.394 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' ALA . . . 178.23 -57.36 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -85.36 52.35 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.314 0.578 . . . . 0.0 110.593 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.41 -60.52 0.21 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.581 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.41 93.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.96 0.409 . . . . 0.0 110.764 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 33' ' ' GLY . . . -70.63 -39.01 73.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.011 0.434 . . . . 0.0 110.301 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.48 -47.92 90.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.303 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -38.71 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.938 0.399 . . . . 0.0 110.38 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.17 97.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.744 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.46 87.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.583 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.7 mmt-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.58 0.228 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . -131.63 -49.24 0.1 Allowed Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.442 ' C ' ' H ' ' A' ' 5' ' ' LYS . 22.0 t80 -91.17 148.91 22.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 71.33 -18.03 0.3 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.292 0.37 . . . . 0.0 111.629 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 22.1 pttm -65.24 -41.38 94.41 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -66.18 -23.25 66.42 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.483 -179.52 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.602 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 t80 -75.86 -43.09 47.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 18.5 t-20 -60.87 -41.91 96.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.778 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 71.7 mmtt -55.75 -46.1 77.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.837 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 4.5 pp -72.37 -35.66 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 7' ' ' PHE . 72.3 t -63.12 -38.09 81.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 O-C-N 122.947 0.154 . . . . 0.0 110.76 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 8' ' ' ASN . 11.6 mmpt? -56.05 -41.38 74.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 109.164 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.0 -38.17 64.18 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.446 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 10' ' ' LEU . 51.7 t -60.32 -50.79 78.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -58.45 -40.39 82.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.056 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -66.82 -44.62 80.68 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.4 m -62.42 -47.07 85.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' VAL . 91.5 mt -56.07 -48.89 78.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.09 0.472 . . . . 0.0 110.028 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 50.3 m -66.53 -53.92 29.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.671 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.703 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 35.6 tt0 -46.3 -36.38 6.22 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.756 0.423 . . . . 0.0 111.551 -179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -49.27 -49.22 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.921 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.83 39.62 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.703 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -120.23 11.97 11.68 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.998 179.05 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.553 ' O ' ' HB ' ' A' ' 28' ' ' THR . 21.4 t -62.93 -39.77 86.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.292 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.95 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HD3' ' HB2' ' A' ' 23' ' ' HIS . 11.8 ptmm? -90.66 -39.94 12.18 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.532 ' HB3' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -100.29 19.93 15.67 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 122.894 0.477 . . . . 0.0 111.051 -179.427 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.553 ' HB ' ' O ' ' A' ' 24' ' ' VAL . 4.9 t -61.31 -48.15 82.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.1 -33.21 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.173 0.511 . . . . 0.0 110.149 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 27' ' ' ASP . 97.9 t -57.41 -50.52 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.531 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.532 HG13 ' HB3' ' A' ' 27' ' ' ASP . 64.9 mt -78.5 -43.62 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.58 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.75 80.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.082 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.67 -54.45 3.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.204 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 t -94.92 51.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.301 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -174.83 -66.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.461 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.53 -47.13 50.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.9 0.381 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.77 89.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.732 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.03 -41.04 91.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 35' ' ' GLY . 52.3 t -61.01 -39.85 83.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.62 76.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.403 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.2 -50.25 42.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.535 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.981 179.418 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.18 146.81 6.33 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.58 48.26 0.65 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -66.04 -17.48 64.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.417 0.627 . . . . 0.0 109.9 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -55.51 -35.14 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.765 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -71.56 -22.57 61.73 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.003 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' N ' ' HD2' ' A' ' 6' ' ' HIS . 28.6 t80 -80.71 -41.35 23.78 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.67 -36.06 71.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.58 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -58.4 -43.3 88.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.167 0.508 . . . . 0.0 109.695 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.5 mt -67.7 -39.28 84.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 7' ' ' PHE . 70.7 t -58.16 -38.16 66.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.733 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -60.52 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -70.51 -41.4 72.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 10' ' ' LEU . 76.5 t -58.42 -38.47 70.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.734 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -54.57 -45.81 73.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.973 0.416 . . . . 0.0 110.012 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.97 -39.34 76.04 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.674 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.445 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 24.0 m -55.52 -45.42 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.415 . . . . 0.0 110.616 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' VAL . 78.6 mt -61.03 -41.43 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.324 0.583 . . . . 0.0 110.195 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -67.02 -57.05 7.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HG2' ' HA ' ' A' ' 17' ' ' THR . 13.5 pt-20 -56.2 -18.54 10.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -59.43 -47.63 84.73 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.902 0.382 . . . . 0.0 111.08 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' VAL . . . -162.41 43.23 0.13 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.583 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.28 22.81 0.41 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.707 0.289 . . . . 0.0 110.282 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.828 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.2 p -67.09 -22.66 29.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.24 -43.49 41.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.976 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -69.41 -52.96 21.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.109 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -94.13 44.55 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.694 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t -62.55 -43.18 99.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.6 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.85 -38.9 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.114 0.483 . . . . 0.0 110.918 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.05 -54.75 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.126 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 24' ' ' VAL . 73.4 mt -66.35 -55.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.95 89.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -62.78 -41.01 99.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.655 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -83.33 46.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.092 0.472 . . . . 0.0 111.047 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.5 -70.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.95 77.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . . . -80.69 37.26 0.41 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.461 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.9 t -141.84 -63.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.396 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.49 -41.53 93.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.732 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.16 -24.78 32.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.229 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.99 52.26 1.62 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.739 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.418 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.492 0.187 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -173.74 34.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.037 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.33 -20.49 64.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.091 0.472 . . . . 0.0 110.236 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -54.99 -11.5 0.66 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.908 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.509 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -66.24 -22.32 66.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.561 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.7 -16.99 61.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.796 0.332 . . . . 0.0 110.534 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.581 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 27.0 t80 -76.54 -53.25 8.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.602 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 5.8 p-10 -61.8 -25.83 67.73 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.225 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 59.1 mmtt -57.44 -31.04 65.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.427 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 7' ' ' PHE . 3.5 pp -99.26 -20.45 16.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 8' ' ' ASN . 9.8 t -54.35 -40.76 49.76 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.342 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.602 ' HD2' ' O ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -58.97 -36.99 75.75 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.337 -179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -76.21 -35.9 58.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 18' ' ' ILE . 57.2 t -62.58 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -59.9 -36.39 76.88 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.69 -41.79 83.11 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.961 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -65.32 -43.25 91.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 109.936 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 14' ' ' VAL . 38.0 mm -58.33 -43.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 m -70.26 -61.7 1.67 Allowed 'General case' 0 C--O 1.192 -1.963 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.726 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 11.3 tp10 -45.11 -41.78 8.2 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.427 0.691 . . . . 0.0 112.636 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -70.35 -53.55 16.19 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.67 -17.96 32.47 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -79.11 -0.8 33.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.872 0.368 . . . . 0.0 110.568 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 HG13 ' A' ' 31' ' ' ILE . 5.6 p -65.54 -26.12 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.85 -45.0 46.11 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -69.98 -54.77 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.777 0.798 . . . . 0.0 109.772 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.564 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 86.9 m-20 -84.98 38.77 0.73 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.913 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -58.63 -39.69 81.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.71 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.588 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' A' ' 27' ' ' ASP . 75.7 t -65.02 -51.36 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.627 HG13 HG23 ' A' ' 24' ' ' VAL . 48.6 mm -62.94 -48.58 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.04 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.97 96.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.57 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 m -90.46 46.7 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.34 -62.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.977 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.79 -41.67 59.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.33 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.08 98.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.99 0.424 . . . . 0.0 110.586 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.8 m -104.28 32.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.71 -41.8 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.581 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.55 -30.44 63.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.94 43.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.371 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.973 179.773 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.19 -46.24 0.19 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.962 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.05 34.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 111.365 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -77.65 -11.0 59.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.988 0.423 . . . . 0.0 110.851 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.542 ' HD3' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -60.76 -32.66 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.542 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -68.65 -25.31 64.76 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.869 0.366 . . . . 0.0 110.372 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' HG23 ' A' ' 11' ' ' VAL . 28.5 t80 -81.73 -43.69 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.768 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.19 -33.32 69.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.96 -40.15 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.6 mt -70.71 -43.13 69.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 7' ' ' PHE . 94.1 t -57.3 -32.87 42.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.434 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -57.97 -38.93 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -80.75 -37.81 29.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.661 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' LEU . 71.1 t -55.47 -41.26 62.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -57.88 -43.76 86.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.96 -38.34 79.35 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.121 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.7 m -60.87 -44.23 97.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.103 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 14' ' ' VAL . 45.8 mm -59.44 -45.35 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.5 m -63.1 -56.97 12.35 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.53 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 23' ' ' HIS . 61.1 mm-40 -55.05 -35.34 64.39 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.575 -0.703 . . . . 0.0 112.308 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -77.17 -51.95 10.09 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -26.08 34.05 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -76.19 15.04 0.62 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.3 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 m -69.33 -23.75 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.71 -44.35 70.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.405 0.621 . . . . 0.0 109.445 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.18 -54.7 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.694 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.09 39.86 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.948 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 9.1 t -65.22 -43.41 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.047 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.58 -29.27 56.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.229 0.538 . . . . 0.0 110.555 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 34' ' ' SER . 57.2 t -71.83 -51.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.949 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.88 -58.65 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 28' ' ' THR . . . -68.46 -48.47 64.44 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.83 -47.78 89.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.6 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 8.6 t -97.84 44.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 110.252 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.25 -87.31 0.07 OUTLIER Glycine 0 C--O 1.22 -0.725 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.252 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.2 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -50.25 34.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.851 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.17 -38.26 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.78 -33.9 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.84 -34.36 71.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.624 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 50.25 1.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.479 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.324 -179.535 . . . . . . . . 0 0 . 1 stop_ save_