data_1p0g_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 1p0g _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' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -47.47 -26.28 1.33 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.693 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.021 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -31.99 73.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -36.69 83.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.269 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.38 -35.85 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -70.01 -33.0 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.877 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.95 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.26 -33.18 75.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -71.36 -18.07 62.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -83.7 -22.55 32.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.521 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.062 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.13 -25.16 1.98 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.684 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 11.7 tttp -71.99 -33.29 68.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.093 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.773 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.83 -46.96 82.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.16 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 10.5 pt-20 -68.51 -27.23 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -70.14 -33.15 71.44 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.888 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 -41.26 93.5 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.323 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.41 -17.97 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.367 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -82.92 -20.27 35.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.719 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.835 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -47.47 -25.99 1.24 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.615 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -68.68 -42.28 78.07 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.086 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.97 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -37.8 88.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.264 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.195 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -35.33 74.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.869 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -32.72 74.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.118 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -65.72 -34.69 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -71.5 -17.48 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -84.48 -20.13 32.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.554 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 179.541 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -48.13 -25.34 1.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.577 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -36.69 76.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.941 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -62.08 -33.14 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.922 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.22 -40.67 94.85 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.275 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.28 -34.34 77.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -64.83 -37.36 87.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.885 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.25 -37.17 82.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -63.18 -33.65 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.044 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.83 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.435 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -18.85 43.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.833 179.573 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -50.75 -23.94 3.06 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -70.93 -43.72 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.028 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.198 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -34.59 76.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -35.83 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.848 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.899 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.97 -37.43 87.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -16.01 63.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.518 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -84.66 -19.83 32.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.613 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.891 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -48.86 -25.82 2.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.356 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -67.99 -38.32 82.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.05 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -62.65 -38.4 90.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.108 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.08 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.227 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.96 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.025 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -42.32 79.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.998 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.59 -33.97 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -66.2 -30.64 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.992 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -70.39 -20.41 62.94 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.549 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.49 -21.5 41.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.737 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 179.712 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -45.87 -26.78 0.74 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 113.932 -1.486 . . . . 0.0 111.788 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -42.43 74.02 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -63.85 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.936 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.15 -35.78 82.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.233 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.03 -31.55 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -39.59 75.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.087 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.88 -26.44 63.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.027 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -73.85 -21.97 59.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.656 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -19.5 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.978 179.597 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -48.27 -26.03 1.81 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.469 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -68.27 -38.99 82.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.045 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -62.15 -33.73 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.018 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -36.42 83.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.294 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.24 -33.54 75.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.24 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -67.58 -38.64 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -32.38 73.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.043 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.06 -36.66 84.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -18.62 64.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.5 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -83.02 -18.04 41.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.531 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.891 179.583 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -48.18 -25.48 1.51 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.634 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -69.77 -36.73 76.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.989 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -33.64 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.027 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.31 -40.29 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.289 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.38 -31.83 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.066 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -36.02 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.1 -37.62 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.38 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.44 -32.86 74.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.103 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -18.08 61.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.514 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -83.42 -22.07 32.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.652 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.927 179.632 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -48.83 -24.97 1.63 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.933 -1.485 . . . . 0.0 111.791 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -41.89 69.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.02 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -63.28 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.884 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.39 -38.37 90.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.189 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -32.51 73.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.115 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -68.8 -34.12 75.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.842 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -35.23 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.243 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.64 -35.2 80.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.094 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -83.14 -17.33 43.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.503 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.79 179.522 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -48.96 -24.99 1.7 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.664 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -70.61 -39.48 73.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.139 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -64.24 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -35.13 80.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.17 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -32.77 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.246 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -69.53 -39.32 77.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.941 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -32.12 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.004 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -66.35 -33.8 76.54 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.091 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -70.14 -18.49 63.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.507 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -82.98 -18.88 38.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.631 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.927 179.545 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 7' ' ' ARG . 16.0 t . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -48.7 -25.61 1.89 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.953 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.85 -41.74 71.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.081 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.416 ' HB2' HG12 ' A' ' 4' ' ' VAL . 21.5 mtp180 -62.72 -28.86 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.9 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.03 -38.72 92.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.359 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.78 -33.74 74.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.114 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.833 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -34.1 77.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.17 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.187 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -69.69 -17.56 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -83.62 -18.12 39.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.493 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.73 179.525 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -46.5 -25.87 0.76 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.043 -1.435 . . . . 0.0 111.953 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.14 -43.5 67.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.979 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.1 -30.53 71.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.654 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.011 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.36 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 109.758 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.852 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -63.43 -35.68 81.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -16.98 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -84.54 -19.5 33.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.564 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.771 179.56 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -48.83 -25.23 1.76 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.707 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -69.97 -43.48 71.43 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.114 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.45 -38.15 90.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -68.59 -31.96 71.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -70.0 -33.3 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.04 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -33.47 75.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.197 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.0 -33.69 76.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -19.44 63.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -80.79 -18.9 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.447 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.764 179.469 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -48.84 -25.39 1.85 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.541 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -69.6 -36.36 76.14 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.962 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.41 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.954 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.76 -39.63 92.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.296 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.29 -34.75 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.072 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -33.33 71.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.013 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.8 -32.31 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.161 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.71 -31.96 70.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.269 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.3 p -76.08 -18.88 59.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -85.03 -25.69 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.492 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -47.0 -26.14 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.744 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -39.8 75.25 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.128 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -64.14 -32.13 73.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.926 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -34.0 76.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.314 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -38.26 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.944 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -32.19 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.048 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -18.94 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.427 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -17.45 46.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.455 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.612 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -50.12 -25.05 3.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.336 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -68.1 -38.11 81.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.005 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -37.63 84.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.096 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -42.74 99.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.086 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.86 -29.09 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.939 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -69.31 -39.51 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.04 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -35.93 82.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.171 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -67.85 -31.63 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.162 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -74.16 -19.41 60.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.627 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -83.95 -22.82 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.912 179.617 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.15 -25.4 2.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.606 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -69.73 -39.93 76.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.0 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -62.45 -32.03 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.24 -33.79 76.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.277 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.06 -34.24 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.285 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -32.14 70.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -34.75 78.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.162 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -64.65 -33.43 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.117 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -71.46 -17.6 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.588 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -21.02 32.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.577 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.29 -26.94 0.9 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.881 -1.508 . . . . 0.0 111.97 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -45.07 58.04 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.871 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -66.0 -30.73 71.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.715 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -35.17 79.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.036 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.97 -32.96 71.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.114 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -70.29 -33.38 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -34.95 74.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.215 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -69.2 -32.06 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.104 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -17.43 60.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -85.05 -23.55 28.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 179.548 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -48.4 -25.39 1.6 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.553 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -69.35 -36.79 77.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.002 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -63.22 -34.11 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.034 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.88 -39.15 93.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.228 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -32.9 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.096 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -66.44 -41.06 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.985 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.04 73.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.056 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.99 -31.39 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.025 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -70.29 -19.32 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.584 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -81.84 -21.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.731 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.937 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -94.77 46.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -130.71 39.09 3.65 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.32 -8.73 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -47.47 -26.28 1.33 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.693 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.021 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -31.99 73.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -36.69 83.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.269 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.38 -35.85 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -70.01 -33.0 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.877 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.95 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.26 -33.18 75.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -71.36 -18.07 62.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -83.7 -22.55 32.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.521 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.21 -20.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.062 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.08 30.09 1.98 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -94.15 -33.1 13.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.667 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -75.53 -28.1 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -57.21 139.13 53.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -93.75 47.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -131.15 38.76 3.62 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.76 -8.65 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.13 -25.16 1.98 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.684 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 11.7 tttp -71.99 -33.29 68.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.093 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.773 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.83 -46.96 82.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.16 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 10.5 pt-20 -68.51 -27.23 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -70.14 -33.15 71.44 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.888 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 -41.26 93.5 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.323 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.41 -17.97 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.367 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -82.92 -20.27 35.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.719 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mt -85.09 -29.33 6.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.835 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.94 39.74 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -58.6 119.74 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -95.06 -65.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -83.99 82.24 8.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.45 47.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -129.34 38.83 3.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 t -68.46 -8.84 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -47.47 -25.99 1.24 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.615 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -68.68 -42.28 78.07 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.086 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.97 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -37.8 88.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.264 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.195 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -35.33 74.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.869 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -32.72 74.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.118 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -65.72 -34.69 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -71.5 -17.48 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -84.48 -20.13 32.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.554 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.1 mt -85.13 -29.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.17 75.49 1.47 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -95.07 111.31 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -75.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -96.46 -63.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.902 0.382 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 55.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 41.14 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.439 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.56 -8.25 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -48.13 -25.34 1.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.577 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -36.69 76.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.941 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -62.08 -33.14 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.922 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.22 -40.67 94.85 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.275 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.28 -34.34 77.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -64.83 -37.36 87.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.885 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.25 -37.17 82.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -63.18 -33.65 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.044 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.83 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.435 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -18.85 43.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -84.44 -29.72 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.833 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.77 30.66 6.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.08 -40.16 90.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -58.76 -30.57 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 44.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 48.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -133.75 38.03 3.24 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.096 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.3 t -71.06 -5.66 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.407 ' H ' ' C ' ' A' ' 3' ' ' LYS . 59.4 t80 -50.75 -23.94 3.06 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.66 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -70.93 -43.72 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.028 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.198 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -34.59 76.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -35.83 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.848 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.899 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.97 -37.43 87.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -16.01 63.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.518 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -84.66 -19.83 32.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.613 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -85.06 -30.4 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.891 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -113.56 31.17 6.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -62.04 121.04 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.54 -65.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.68 -73.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.29 49.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -117.94 39.35 3.4 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.06 -9.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -48.86 -25.82 2.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.356 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -67.99 -38.32 82.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.05 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -62.65 -38.4 90.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.108 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.08 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.227 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.96 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.025 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -42.32 79.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.998 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.59 -33.97 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -66.2 -30.64 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.992 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -70.39 -20.41 62.94 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.549 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.49 -21.5 41.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.737 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mt -85.21 -34.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.06 30.05 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -61.64 -175.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -95.12 25.44 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 30.77 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.391 -0.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 47.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -117.28 38.36 3.58 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.15 -7.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -45.87 -26.78 0.74 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 113.932 -1.486 . . . . 0.0 111.788 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -42.43 74.02 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -63.85 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.936 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.15 -35.78 82.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.233 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.03 -31.55 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -39.59 75.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.087 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.88 -26.44 63.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.027 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -73.85 -21.97 59.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.656 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -19.5 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 mm -85.02 -28.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.978 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.88 -5.53 28.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -95.1 27.0 3.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.774 0.321 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -95.0 -31.01 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.824 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.32 -47.13 9.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 47.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -160.48 39.32 0.17 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.69 -9.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -48.27 -26.03 1.81 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.469 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -68.27 -38.99 82.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.045 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -62.15 -33.73 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.018 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -36.42 83.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.294 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.24 -33.54 75.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.24 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -67.58 -38.64 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -32.38 73.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.043 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.06 -36.66 84.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -18.62 64.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.5 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -83.02 -18.04 41.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.531 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.7 mt -85.03 -30.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.891 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -76.91 -31.0 56.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.77 111.6 3.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.01 -34.13 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.0 163.62 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.82 0.343 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -99.62 53.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 44.94 39.49 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.355 0.598 . . . . 0.0 111.457 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.89 -7.41 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -48.18 -25.48 1.51 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.634 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -69.77 -36.73 76.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.989 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -33.64 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.027 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.31 -40.29 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.289 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.38 -31.83 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.066 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -36.02 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.1 -37.62 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.38 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.44 -32.86 74.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.103 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -18.08 61.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.514 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -83.42 -22.07 32.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.652 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mt -85.18 -29.37 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.927 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.9 -46.59 11.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.36 -50.67 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.87 44.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -31.05 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.407 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.821 0.343 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.3 38.2 0.63 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.082 0.467 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -70.11 -6.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -48.83 -24.97 1.63 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.933 -1.485 . . . . 0.0 111.791 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -41.89 69.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.02 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -63.28 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.884 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.39 -38.37 90.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.189 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -32.51 73.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.115 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -68.8 -34.12 75.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.842 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -35.23 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.243 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.64 -35.2 80.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.094 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -83.14 -17.33 43.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.503 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.8 mt -85.1 -30.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.79 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.84 -41.79 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.15 139.62 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.13 25.2 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.02 -56.18 2.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.97 47.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -149.71 38.03 0.75 Allowed 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.1 -7.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -48.96 -24.99 1.7 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.664 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -70.61 -39.48 73.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.139 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -64.24 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -35.13 80.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.17 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -32.77 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.246 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -69.53 -39.32 77.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.941 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -32.12 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.004 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -66.35 -33.8 76.54 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.091 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -70.14 -18.49 63.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.507 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -82.98 -18.88 38.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.631 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm -85.05 -30.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.927 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.82 -58.47 2.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.38 159.38 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -96.07 164.74 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.801 0.334 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -100.03 52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? 39.47 39.65 0.5 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.054 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 7' ' ' ARG . 16.0 t -68.19 -10.14 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -48.7 -25.61 1.89 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.953 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.85 -41.74 71.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.081 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.416 ' HB2' HG12 ' A' ' 4' ' ' VAL . 21.5 mtp180 -62.72 -28.86 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.9 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.03 -38.72 92.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.359 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.78 -33.74 74.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.114 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.833 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -34.1 77.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.17 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.187 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -69.69 -17.56 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -83.62 -18.12 39.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.493 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.3 mt -84.57 -30.19 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.73 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -63.89 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.06 177.48 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -92.86 -61.55 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -46.64 12.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -100.05 53.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.57 37.49 1.48 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.098 0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.9 -5.69 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -46.5 -25.87 0.76 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.043 -1.435 . . . . 0.0 111.953 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.14 -43.5 67.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.979 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.1 -30.53 71.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.654 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.011 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.36 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 109.758 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.852 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -63.43 -35.68 81.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -16.98 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -84.54 -19.5 33.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.564 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 mt -85.17 -30.59 6.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.17 72.65 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -66.22 172.23 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.7 -59.24 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.08 -46.85 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.766 0.317 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.49 47.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -137.15 37.59 2.54 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.104 0.478 . . . . 0.0 111.186 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.22 -8.09 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -48.83 -25.23 1.76 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.707 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -69.97 -43.48 71.43 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.114 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.45 -38.15 90.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -68.59 -31.96 71.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -70.0 -33.3 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.04 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -33.47 75.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.197 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.0 -33.69 76.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -19.44 63.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -80.79 -18.9 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.447 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mt -81.97 -31.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.764 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -102.11 -49.65 3.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -94.97 150.78 19.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -76.9 -64.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -82.76 89.73 6.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 54.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.741 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 41.18 1.1 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.256 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.16 -8.77 8.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 176.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -48.84 -25.39 1.85 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.541 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -69.6 -36.36 76.14 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.962 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.41 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.954 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.76 -39.63 92.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.296 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.29 -34.75 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.072 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -33.33 71.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.013 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.8 -32.31 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.161 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.71 -31.96 70.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.269 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.3 p -76.08 -18.88 59.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -85.03 -25.69 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.492 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mt -85.35 -30.34 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.76 -51.35 14.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -75.41 129.49 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.16 30.65 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -104.99 -59.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.793 0.33 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -96.92 46.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -145.63 38.25 1.12 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.43 -6.95 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -47.0 -26.14 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.744 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -39.8 75.25 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.128 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -64.14 -32.13 73.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.926 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -34.0 76.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.314 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -38.26 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.944 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -32.19 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.048 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -18.94 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.427 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -17.45 46.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.455 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mt -85.01 -26.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.97 28.26 3.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -95.04 70.1 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -95.21 30.92 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -104.87 32.77 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -93.04 48.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -100.55 40.07 1.3 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.17 -11.45 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -50.12 -25.05 3.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.336 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -68.1 -38.11 81.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.005 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -37.63 84.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.096 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -42.74 99.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.086 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.86 -29.09 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.939 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -69.31 -39.51 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.04 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -35.93 82.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.171 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -67.85 -31.63 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.162 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -74.16 -19.41 60.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.627 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -83.95 -22.82 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mt -85.25 -28.53 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.912 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -97.24 37.17 1.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.03 179.84 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.38 -34.71 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -32.93 16.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -94.25 47.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -148.29 39.01 0.89 Allowed 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.64 -8.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.15 -25.4 2.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.606 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -69.73 -39.93 76.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.0 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -62.45 -32.03 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.24 -33.79 76.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.277 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.06 -34.24 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.285 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -32.14 70.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -34.75 78.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.162 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -64.65 -33.43 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.117 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -71.46 -17.6 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.588 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -21.02 32.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.9 mt -85.1 -29.8 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -95.5 -21.16 18.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -95.04 35.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.133 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.29 29.31 2.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -75.72 -64.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.788 0.328 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -99.97 46.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -136.81 36.44 2.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.8 t -72.07 -6.46 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.29 -26.94 0.9 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.881 -1.508 . . . . 0.0 111.97 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -45.07 58.04 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.871 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -66.0 -30.73 71.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.715 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -35.17 79.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.036 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.97 -32.96 71.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.114 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -70.29 -33.38 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -34.95 74.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.215 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -69.2 -32.06 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.104 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -17.43 60.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -85.05 -23.55 28.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.6 mt -85.27 -29.42 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.57 36.75 2.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -59.33 118.91 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.02 -47.22 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -101.49 127.78 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.787 0.327 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.52 48.12 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.6 39.02 2.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.14 -9.06 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -48.4 -25.39 1.6 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.553 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -69.35 -36.79 77.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.002 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -63.22 -34.11 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.034 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.88 -39.15 93.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.228 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -32.9 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.096 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -66.44 -41.06 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.985 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.04 73.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.056 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.99 -31.39 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.025 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -70.29 -19.32 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.584 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -81.84 -21.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.731 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mt -85.16 -29.4 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.937 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -26.41 50.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -55.73 -29.55 59.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.07 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.88 -55.83 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.61 106.8 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.318 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.57 ' HA ' HD13 ' A' ' 8' ' ' LEU . 73.6 t80 -47.47 -26.28 1.33 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.693 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.021 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -31.99 73.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -62.59 -36.69 83.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.269 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.38 -35.85 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -70.01 -33.0 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.877 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.95 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.26 -33.18 75.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -71.36 -18.07 62.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -83.7 -22.55 32.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.521 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.062 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.408 HG13 ' HD3' ' A' ' 7' ' ' ARG . 43.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.13 -25.16 1.98 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.684 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 11.7 tttp -71.99 -33.29 68.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.093 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HD3' HG13 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.773 179.012 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.83 -46.96 82.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.16 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 10.5 pt-20 -68.51 -27.23 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -70.14 -33.15 71.44 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.888 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 -41.26 93.5 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.323 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.41 -17.97 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.367 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -82.92 -20.27 35.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.719 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.835 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -47.47 -25.99 1.24 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.615 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -68.68 -42.28 78.07 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.086 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.97 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -63.56 -37.8 88.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.264 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.195 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -35.33 74.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.869 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -32.72 74.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.118 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.639 ' HA ' HD12 ' A' ' 15' ' ' ILE . 26.9 t80 -65.72 -34.69 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -71.5 -17.48 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -84.48 -20.13 32.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.554 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 12' ' ' PHE . 19.1 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' A' ' 8' ' ' LEU . 16.0 t80 -48.13 -25.34 1.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.577 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -36.69 76.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.941 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -62.08 -33.14 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.922 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.545 HD12 ' HD1' ' A' ' 5' ' ' PHE . 28.6 mt -61.22 -40.67 94.85 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.275 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.28 -34.34 77.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -64.83 -37.36 87.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.885 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.25 -37.17 82.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -63.18 -33.65 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.044 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.83 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.435 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -18.85 43.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.833 179.573 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 4' ' ' VAL . 44.3 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -50.75 -23.94 3.06 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -70.93 -43.72 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.028 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.198 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -34.59 76.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -35.83 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.848 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.899 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.97 -37.43 87.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -16.01 63.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.518 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -84.66 -19.83 32.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.613 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.891 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.841 ' HA ' HD12 ' A' ' 8' ' ' LEU . 40.5 t80 -48.86 -25.82 2.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.356 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -67.99 -38.32 82.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.05 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -62.65 -38.4 90.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.108 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 5' ' ' PHE . 10.5 mt -63.08 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.227 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.96 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.025 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -42.32 79.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.998 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.59 -33.97 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HA ' HD12 ' A' ' 15' ' ' ILE . 30.4 t80 -66.2 -30.64 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.992 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -70.39 -20.41 62.94 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.549 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.49 -21.5 41.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.737 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 12' ' ' PHE . 22.7 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -45.87 -26.78 0.74 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 113.932 -1.486 . . . . 0.0 111.788 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -42.43 74.02 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -63.85 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.936 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.15 -35.78 82.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.233 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.03 -31.55 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -39.59 75.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.087 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 4.0 mm? -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.88 -26.44 63.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.027 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -73.85 -21.97 59.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.656 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -80.9 -19.5 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.978 179.597 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -48.27 -26.03 1.81 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.469 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -68.27 -38.99 82.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.045 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -62.15 -33.73 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.018 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -36.42 83.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.294 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.24 -33.54 75.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.24 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -67.58 -38.64 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -32.38 73.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.043 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HA ' HD12 ' A' ' 15' ' ' ILE . 31.5 t80 -64.06 -36.66 84.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -18.62 64.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.5 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -83.02 -18.04 41.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.531 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 12' ' ' PHE . 20.7 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.891 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -48.18 -25.48 1.51 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.634 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -69.77 -36.73 76.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.989 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -33.64 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.027 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.31 -40.29 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.289 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.38 -31.83 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.066 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -36.02 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.1 -37.62 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.38 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.44 -32.86 74.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.103 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -18.08 61.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.514 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -83.42 -22.07 32.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.652 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.927 179.632 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 4' ' ' VAL . 46.3 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -48.83 -24.97 1.63 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.933 -1.485 . . . . 0.0 111.791 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -41.89 69.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.02 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -63.28 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.884 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.39 -38.37 90.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.189 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -32.51 73.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.115 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -68.8 -34.12 75.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.842 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -35.23 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.243 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.64 -35.2 80.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.094 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -83.14 -17.33 43.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.503 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.79 179.522 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -48.96 -24.99 1.7 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.664 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -70.61 -39.48 73.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.139 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -64.24 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -35.13 80.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.17 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -32.77 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.246 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -69.53 -39.32 77.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.941 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -32.12 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.004 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -66.35 -33.8 76.54 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.091 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -70.14 -18.49 63.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.507 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -82.98 -18.88 38.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.631 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.927 179.545 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.583 HG13 ' HD3' ' A' ' 7' ' ' ARG . 16.0 t . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -48.7 -25.61 1.89 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.953 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.85 -41.74 71.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.081 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.583 ' HD3' HG13 ' A' ' 4' ' ' VAL . 21.5 mtp180 -62.72 -28.86 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.9 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.03 -38.72 92.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.359 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.78 -33.74 74.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.114 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.833 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -34.1 77.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.17 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 14.0 t80 -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.187 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -69.69 -17.56 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -83.62 -18.12 39.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.493 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 12' ' ' PHE . 21.3 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.73 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -46.5 -25.87 0.76 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.043 -1.435 . . . . 0.0 111.953 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.14 -43.5 67.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.979 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.1 -30.53 71.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.654 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.011 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.36 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 109.758 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.852 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.662 ' HA ' HD12 ' A' ' 15' ' ' ILE . 17.1 t80 -63.43 -35.68 81.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -16.98 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -84.54 -19.5 33.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.564 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 12' ' ' PHE . 18.9 mt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -48.83 -25.23 1.76 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.707 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -69.97 -43.48 71.43 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.114 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.45 -38.15 90.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -68.59 -31.96 71.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -70.0 -33.3 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.04 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -33.47 75.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.197 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.0 -33.69 76.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -19.44 63.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -80.79 -18.9 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.447 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.764 179.469 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -48.84 -25.39 1.85 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.541 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -69.6 -36.36 76.14 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.962 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.41 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.954 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.76 -39.63 92.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.296 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.29 -34.75 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.072 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -33.33 71.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.013 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.8 -32.31 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.161 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 15' ' ' ILE . 25.8 t80 -69.71 -31.96 70.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.269 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.3 p -76.08 -18.88 59.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -85.03 -25.69 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.492 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 12' ' ' PHE . 11.1 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 7' ' ' ARG . 18.8 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -47.0 -26.14 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.744 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -39.8 75.25 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.128 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HB2' HG12 ' A' ' 4' ' ' VAL . 6.5 mmp_? -64.14 -32.13 73.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.926 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -34.0 76.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.314 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -38.26 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.944 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -32.19 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.048 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -18.94 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.427 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -17.45 46.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.455 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.612 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.581 HG23 ' HD2' ' A' ' 7' ' ' ARG . 7.3 p . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -50.12 -25.05 3.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.336 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -68.1 -38.11 81.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.005 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.581 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.59 -37.63 84.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.096 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -42.74 99.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.086 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.86 -29.09 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.939 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -69.31 -39.51 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.04 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -65.11 -35.93 82.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.171 179.345 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.694 ' HA ' HD12 ' A' ' 15' ' ' ILE . 7.2 t80 -67.85 -31.63 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.162 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -74.16 -19.41 60.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.627 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -83.95 -22.82 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 12' ' ' PHE . 12.1 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.912 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.47 HG23 ' HD3' ' A' ' 7' ' ' ARG . 7.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.15 -25.4 2.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.606 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -69.73 -39.93 76.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.0 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HD3' HG23 ' A' ' 4' ' ' VAL . 11.3 mtp180 -62.45 -32.03 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.24 -33.79 76.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.277 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.06 -34.24 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.285 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.42 -32.14 70.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.159 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -65.9 -34.75 78.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.162 179.257 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -64.65 -33.43 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.117 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -71.46 -17.6 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.588 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -21.02 32.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.577 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 4' ' ' VAL . 44.8 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.29 -26.94 0.9 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.881 -1.508 . . . . 0.0 111.97 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -45.07 58.04 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.871 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -66.0 -30.73 71.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.715 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -35.17 79.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.036 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.97 -32.96 71.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.114 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -70.29 -33.38 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -34.95 74.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.215 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.3 t80 -69.2 -32.06 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.104 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -17.43 60.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -85.05 -23.55 28.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 12' ' ' PHE . 15.6 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -48.4 -25.39 1.6 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.553 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -69.35 -36.79 77.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.002 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -63.22 -34.11 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.034 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.2 tp -62.88 -39.15 93.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -32.9 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.096 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -66.44 -41.06 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.985 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.04 73.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.056 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.99 -31.39 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.025 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -70.29 -19.32 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.584 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -81.84 -21.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.731 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.937 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -94.77 46.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -130.71 39.09 3.65 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.32 -8.73 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.57 ' HA ' HD13 ' A' ' 8' ' ' LEU . 73.6 t80 -47.47 -26.28 1.33 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.693 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.021 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -31.99 73.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -62.59 -36.69 83.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.269 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.38 -35.85 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -70.01 -33.0 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.877 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.95 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.26 -33.18 75.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -71.36 -18.07 62.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -83.7 -22.55 32.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.521 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.21 -20.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.062 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.08 30.09 1.98 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -94.15 -33.1 13.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.667 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -75.53 -28.1 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -57.21 139.13 53.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -93.75 47.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -131.15 38.76 3.62 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.408 HG13 ' HD3' ' A' ' 7' ' ' ARG . 43.0 t -68.76 -8.65 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.13 -25.16 1.98 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.684 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 11.7 tttp -71.99 -33.29 68.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.093 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HD3' HG13 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.773 179.012 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.83 -46.96 82.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.16 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 10.5 pt-20 -68.51 -27.23 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -70.14 -33.15 71.44 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.888 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 -41.26 93.5 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.323 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.41 -17.97 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.367 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -82.92 -20.27 35.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.719 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mt -85.09 -29.33 6.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.835 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.94 39.74 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -58.6 119.74 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -95.06 -65.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -83.99 82.24 8.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.45 47.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -129.34 38.83 3.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 t -68.46 -8.84 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -47.47 -25.99 1.24 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.615 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -68.68 -42.28 78.07 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.086 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.97 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -63.56 -37.8 88.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.264 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.195 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -35.33 74.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.869 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -32.72 74.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.118 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.639 ' HA ' HD12 ' A' ' 15' ' ' ILE . 26.9 t80 -65.72 -34.69 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -71.5 -17.48 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -84.48 -20.13 32.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.554 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 12' ' ' PHE . 19.1 mt -85.13 -29.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.17 75.49 1.47 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -95.07 111.31 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -75.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -96.46 -63.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.902 0.382 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 55.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 41.14 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.439 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.3 p -68.56 -8.25 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' A' ' 8' ' ' LEU . 16.0 t80 -48.13 -25.34 1.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.577 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -36.69 76.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.941 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -62.08 -33.14 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.922 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.545 HD12 ' HD1' ' A' ' 5' ' ' PHE . 28.6 mt -61.22 -40.67 94.85 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.275 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.28 -34.34 77.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -64.83 -37.36 87.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.885 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.25 -37.17 82.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -63.18 -33.65 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.044 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.83 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.435 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -18.85 43.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -84.44 -29.72 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.833 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.77 30.66 6.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.08 -40.16 90.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -58.76 -30.57 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 44.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 48.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 38.03 3.24 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 4' ' ' VAL . 44.3 t -71.06 -5.66 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 176.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -50.75 -23.94 3.06 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -70.93 -43.72 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.028 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.198 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -34.59 76.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -35.83 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.848 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.899 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.97 -37.43 87.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -16.01 63.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.518 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -84.66 -19.83 32.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.613 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -85.06 -30.4 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.891 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -113.56 31.17 6.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -62.04 121.04 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.54 -65.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.68 -73.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.29 49.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -117.94 39.35 3.4 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.06 -9.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.841 ' HA ' HD12 ' A' ' 8' ' ' LEU . 40.5 t80 -48.86 -25.82 2.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.356 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -67.99 -38.32 82.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.05 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -62.65 -38.4 90.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.108 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 5' ' ' PHE . 10.5 mt -63.08 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.227 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.96 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.025 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -42.32 79.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.998 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.59 -33.97 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HA ' HD12 ' A' ' 15' ' ' ILE . 30.4 t80 -66.2 -30.64 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.992 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -70.39 -20.41 62.94 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.549 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.49 -21.5 41.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.737 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 12' ' ' PHE . 22.7 mt -85.21 -34.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.06 30.05 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -61.64 -175.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -95.12 25.44 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 30.77 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.391 -0.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 47.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -117.28 38.36 3.58 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.3 p -70.15 -7.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -45.87 -26.78 0.74 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 113.932 -1.486 . . . . 0.0 111.788 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -42.43 74.02 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -63.85 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.936 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.15 -35.78 82.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.233 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.03 -31.55 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -39.59 75.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.087 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 4.0 mm? -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.88 -26.44 63.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.027 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -73.85 -21.97 59.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.656 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -80.9 -19.5 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 mm -85.02 -28.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.978 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.88 -5.53 28.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -95.1 27.0 3.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.774 0.321 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -95.0 -31.01 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.824 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.32 -47.13 9.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 47.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -160.48 39.32 0.17 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.69 -9.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -48.27 -26.03 1.81 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.469 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -68.27 -38.99 82.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.045 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -62.15 -33.73 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.018 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -36.42 83.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.294 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.24 -33.54 75.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.24 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -67.58 -38.64 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -32.38 73.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.043 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HA ' HD12 ' A' ' 15' ' ' ILE . 31.5 t80 -64.06 -36.66 84.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -18.62 64.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.5 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -83.02 -18.04 41.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.531 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 12' ' ' PHE . 20.7 mt -85.03 -30.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.891 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -76.91 -31.0 56.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.77 111.6 3.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.01 -34.13 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.0 163.62 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.82 0.343 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -99.62 53.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 44.94 39.49 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.355 0.598 . . . . 0.0 111.457 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.89 -7.41 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -48.18 -25.48 1.51 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.634 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -69.77 -36.73 76.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.989 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -33.64 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.027 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.31 -40.29 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.289 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.38 -31.83 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.066 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -36.02 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.1 -37.62 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.38 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.44 -32.86 74.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.103 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -18.08 61.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.514 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -83.42 -22.07 32.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.652 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mt -85.18 -29.37 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.927 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.9 -46.59 11.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.36 -50.67 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.87 44.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -31.05 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.407 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.821 0.343 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.3 38.2 0.63 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.082 0.467 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 4' ' ' VAL . 46.3 t -70.11 -6.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -48.83 -24.97 1.63 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.933 -1.485 . . . . 0.0 111.791 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -41.89 69.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.02 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -63.28 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.884 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.39 -38.37 90.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.189 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -32.51 73.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.115 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -68.8 -34.12 75.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.842 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -35.23 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.243 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.64 -35.2 80.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.094 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -83.14 -17.33 43.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.503 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.8 mt -85.1 -30.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.79 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.84 -41.79 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.15 139.62 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.13 25.2 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.02 -56.18 2.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.97 47.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -149.71 38.03 0.75 Allowed 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.1 -7.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -48.96 -24.99 1.7 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.664 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -70.61 -39.48 73.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.139 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -64.24 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -35.13 80.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.17 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -32.77 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.246 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -69.53 -39.32 77.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.941 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -32.12 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.004 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -66.35 -33.8 76.54 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.091 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -70.14 -18.49 63.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.507 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -82.98 -18.88 38.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.631 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm -85.05 -30.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.927 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.82 -58.47 2.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.38 159.38 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -96.07 164.74 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.801 0.334 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HG2' ' CG2' ' A' ' 4' ' ' VAL . 12.9 ptmt -100.03 52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? 39.47 39.65 0.5 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.054 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.583 HG13 ' HD3' ' A' ' 7' ' ' ARG . 16.0 t -68.19 -10.14 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -48.7 -25.61 1.89 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.953 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.85 -41.74 71.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.081 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.583 ' HD3' HG13 ' A' ' 4' ' ' VAL . 21.5 mtp180 -62.72 -28.86 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.9 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.03 -38.72 92.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.359 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.78 -33.74 74.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.114 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.833 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -34.1 77.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.17 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 14.0 t80 -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.187 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -69.69 -17.56 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -83.62 -18.12 39.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.493 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 12' ' ' PHE . 21.3 mt -84.57 -30.19 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.73 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -63.89 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.06 177.48 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -92.86 -61.55 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -46.64 12.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' HD3' HG12 ' A' ' 4' ' ' VAL . 3.7 tmtm? -100.05 53.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.57 37.49 1.48 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.098 0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p -71.9 -5.69 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -46.5 -25.87 0.76 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.043 -1.435 . . . . 0.0 111.953 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.14 -43.5 67.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.979 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.1 -30.53 71.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.654 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.011 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.36 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 109.758 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.852 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.662 ' HA ' HD12 ' A' ' 15' ' ' ILE . 17.1 t80 -63.43 -35.68 81.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -16.98 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -84.54 -19.5 33.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.564 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 12' ' ' PHE . 18.9 mt -85.17 -30.59 6.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.771 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.17 72.65 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -66.22 172.23 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.7 -59.24 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.08 -46.85 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.766 0.317 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.49 47.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 1' ' ' ALA . 22.2 pttm -137.15 37.59 2.54 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.104 0.478 . . . . 0.0 111.186 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p -70.22 -8.09 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 176.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -48.83 -25.23 1.76 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.707 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -69.97 -43.48 71.43 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.114 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.45 -38.15 90.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -68.59 -31.96 71.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -70.0 -33.3 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.04 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -33.47 75.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.197 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.0 -33.69 76.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -19.44 63.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -80.79 -18.9 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.447 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mt -81.97 -31.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.764 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -102.11 -49.65 3.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -94.97 150.78 19.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -76.9 -64.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -82.76 89.73 6.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 54.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.741 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 41.18 1.1 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.256 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p -67.16 -8.77 8.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 176.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -48.84 -25.39 1.85 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.541 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -69.6 -36.36 76.14 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.962 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.41 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.954 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.76 -39.63 92.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.296 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.29 -34.75 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.072 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -33.33 71.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.013 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.8 -32.31 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.161 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 15' ' ' ILE . 25.8 t80 -69.71 -31.96 70.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.269 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.3 p -76.08 -18.88 59.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -85.03 -25.69 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.492 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 12' ' ' PHE . 11.1 mt -85.35 -30.34 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.76 -51.35 14.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -75.41 129.49 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.16 30.65 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -104.99 -59.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.793 0.33 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -96.92 46.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -145.63 38.25 1.12 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 7' ' ' ARG . 18.8 t -70.43 -6.95 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 176.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -47.0 -26.14 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.744 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -39.8 75.25 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.128 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HB2' HG12 ' A' ' 4' ' ' VAL . 6.5 mmp_? -64.14 -32.13 73.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.926 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -34.0 76.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.314 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -38.26 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.944 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -32.19 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.048 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -18.94 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.427 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -17.45 46.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.455 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mt -85.01 -26.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.97 28.26 3.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -95.04 70.1 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -95.21 30.92 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -104.87 32.77 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -93.04 48.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -100.55 40.07 1.3 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.581 HG23 ' HD2' ' A' ' 7' ' ' ARG . 7.3 p -66.17 -11.45 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 176.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -50.12 -25.05 3.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.336 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -68.1 -38.11 81.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.005 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.581 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.59 -37.63 84.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.096 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -42.74 99.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.086 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.86 -29.09 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.939 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -69.31 -39.51 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.04 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -65.11 -35.93 82.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.171 179.345 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.694 ' HA ' HD12 ' A' ' 15' ' ' ILE . 7.2 t80 -67.85 -31.63 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.162 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -74.16 -19.41 60.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.627 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -83.95 -22.82 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 12' ' ' PHE . 12.1 mt -85.25 -28.53 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.912 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -97.24 37.17 1.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.03 179.84 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.38 -34.71 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -32.93 16.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -94.25 47.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -148.29 39.01 0.89 Allowed 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG23 ' HD3' ' A' ' 7' ' ' ARG . 7.2 p -68.64 -8.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 176.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.15 -25.4 2.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.606 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -69.73 -39.93 76.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.0 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HD3' HG23 ' A' ' 4' ' ' VAL . 11.3 mtp180 -62.45 -32.03 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.24 -33.79 76.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.277 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.06 -34.24 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.285 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.42 -32.14 70.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.159 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -65.9 -34.75 78.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.162 179.257 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -64.65 -33.43 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.117 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -71.46 -17.6 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.588 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -21.02 32.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.9 mt -85.1 -29.8 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -95.5 -21.16 18.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -95.04 35.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.133 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.29 29.31 2.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -75.72 -64.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.788 0.328 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -99.97 46.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -136.81 36.44 2.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 4' ' ' VAL . 44.8 t -72.07 -6.46 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 176.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.29 -26.94 0.9 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.881 -1.508 . . . . 0.0 111.97 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -45.07 58.04 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.871 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -66.0 -30.73 71.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.715 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -35.17 79.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.036 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.97 -32.96 71.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.114 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -70.29 -33.38 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -34.95 74.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.215 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.3 t80 -69.2 -32.06 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.104 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -17.43 60.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -85.05 -23.55 28.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 12' ' ' PHE . 15.6 mt -85.27 -29.42 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.57 36.75 2.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -59.33 118.91 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.02 -47.22 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -101.49 127.78 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.787 0.327 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.52 48.12 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.6 39.02 2.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.14 -9.06 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -48.4 -25.39 1.6 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.553 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -69.35 -36.79 77.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.002 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -63.22 -34.11 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.034 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.2 tp -62.88 -39.15 93.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -32.9 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.096 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -66.44 -41.06 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.985 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.04 73.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.056 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.99 -31.39 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.025 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -70.29 -19.32 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.584 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -81.84 -21.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.731 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mt -85.16 -29.4 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.937 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -26.41 50.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -55.73 -29.55 59.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.07 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.88 -55.83 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.61 106.8 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.318 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.57 ' HA ' HD13 ' A' ' 8' ' ' LEU . 73.6 t80 -47.47 -26.28 1.33 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.693 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.021 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -31.99 73.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -62.59 -36.69 83.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.269 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.38 -35.85 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -70.01 -33.0 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.877 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.95 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.26 -33.18 75.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -71.36 -18.07 62.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -83.7 -22.55 32.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.521 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.062 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.408 HG13 ' HD3' ' A' ' 7' ' ' ARG . 43.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.13 -25.16 1.98 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.684 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 11.7 tttp -71.99 -33.29 68.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.093 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HD3' HG13 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.773 179.012 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.83 -46.96 82.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.16 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 10.5 pt-20 -68.51 -27.23 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -70.14 -33.15 71.44 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.888 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 -41.26 93.5 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.323 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.41 -17.97 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.367 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -82.92 -20.27 35.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.719 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.835 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -47.47 -25.99 1.24 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.615 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -68.68 -42.28 78.07 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.086 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.97 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -63.56 -37.8 88.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.264 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.195 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -35.33 74.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.869 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -32.72 74.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.118 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.639 ' HA ' HD12 ' A' ' 15' ' ' ILE . 26.9 t80 -65.72 -34.69 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -71.5 -17.48 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -84.48 -20.13 32.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.554 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 12' ' ' PHE . 19.1 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' A' ' 8' ' ' LEU . 16.0 t80 -48.13 -25.34 1.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.577 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -36.69 76.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.941 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -62.08 -33.14 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.922 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.545 HD12 ' HD1' ' A' ' 5' ' ' PHE . 28.6 mt -61.22 -40.67 94.85 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.275 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.28 -34.34 77.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -64.83 -37.36 87.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.885 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.25 -37.17 82.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -63.18 -33.65 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.044 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.83 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.435 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -18.85 43.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.833 179.573 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 4' ' ' VAL . 44.3 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -50.75 -23.94 3.06 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -70.93 -43.72 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.028 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.198 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -34.59 76.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -35.83 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.848 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.899 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.97 -37.43 87.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -16.01 63.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.518 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -84.66 -19.83 32.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.613 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.891 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.841 ' HA ' HD12 ' A' ' 8' ' ' LEU . 40.5 t80 -48.86 -25.82 2.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.356 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -67.99 -38.32 82.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.05 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -62.65 -38.4 90.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.108 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 5' ' ' PHE . 10.5 mt -63.08 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.227 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.96 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.025 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -42.32 79.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.998 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.59 -33.97 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HA ' HD12 ' A' ' 15' ' ' ILE . 30.4 t80 -66.2 -30.64 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.992 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -70.39 -20.41 62.94 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.549 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.49 -21.5 41.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.737 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 12' ' ' PHE . 22.7 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -45.87 -26.78 0.74 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 113.932 -1.486 . . . . 0.0 111.788 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -42.43 74.02 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -63.85 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.936 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.15 -35.78 82.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.233 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.03 -31.55 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -39.59 75.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.087 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 4.0 mm? -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.88 -26.44 63.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.027 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -73.85 -21.97 59.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.656 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -80.9 -19.5 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.978 179.597 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -48.27 -26.03 1.81 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.469 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -68.27 -38.99 82.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.045 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -62.15 -33.73 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.018 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -36.42 83.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.294 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.24 -33.54 75.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.24 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -67.58 -38.64 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -32.38 73.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.043 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HA ' HD12 ' A' ' 15' ' ' ILE . 31.5 t80 -64.06 -36.66 84.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -18.62 64.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.5 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -83.02 -18.04 41.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.531 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 12' ' ' PHE . 20.7 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.891 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -48.18 -25.48 1.51 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.634 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -69.77 -36.73 76.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.989 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -33.64 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.027 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.31 -40.29 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.289 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.38 -31.83 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.066 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -36.02 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.1 -37.62 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.38 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.44 -32.86 74.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.103 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -18.08 61.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.514 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -83.42 -22.07 32.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.652 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.927 179.632 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 4' ' ' VAL . 46.3 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -48.83 -24.97 1.63 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.933 -1.485 . . . . 0.0 111.791 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -41.89 69.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.02 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -63.28 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.884 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.39 -38.37 90.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.189 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -32.51 73.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.115 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -68.8 -34.12 75.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.842 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -35.23 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.243 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.64 -35.2 80.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.094 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -83.14 -17.33 43.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.503 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.79 179.522 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -48.96 -24.99 1.7 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.664 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -70.61 -39.48 73.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.139 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -64.24 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -35.13 80.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.17 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -32.77 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.246 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -69.53 -39.32 77.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.941 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -32.12 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.004 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -66.35 -33.8 76.54 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.091 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -70.14 -18.49 63.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.507 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -82.98 -18.88 38.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.631 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.927 179.545 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.583 HG13 ' HD3' ' A' ' 7' ' ' ARG . 16.0 t . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -48.7 -25.61 1.89 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.953 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.85 -41.74 71.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.081 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.583 ' HD3' HG13 ' A' ' 4' ' ' VAL . 21.5 mtp180 -62.72 -28.86 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.9 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.03 -38.72 92.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.359 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.78 -33.74 74.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.114 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.833 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -34.1 77.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.17 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 14.0 t80 -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.187 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -69.69 -17.56 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -83.62 -18.12 39.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.493 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 12' ' ' PHE . 21.3 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.73 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -46.5 -25.87 0.76 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.043 -1.435 . . . . 0.0 111.953 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.14 -43.5 67.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.979 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.1 -30.53 71.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.654 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.011 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.36 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 109.758 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.852 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.662 ' HA ' HD12 ' A' ' 15' ' ' ILE . 17.1 t80 -63.43 -35.68 81.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -16.98 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -84.54 -19.5 33.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.564 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 12' ' ' PHE . 18.9 mt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -48.83 -25.23 1.76 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.707 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -69.97 -43.48 71.43 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.114 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.45 -38.15 90.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -68.59 -31.96 71.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -70.0 -33.3 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.04 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -33.47 75.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.197 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.0 -33.69 76.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -19.44 63.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -80.79 -18.9 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.447 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.764 179.469 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -48.84 -25.39 1.85 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.541 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -69.6 -36.36 76.14 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.962 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.41 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.954 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.76 -39.63 92.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.296 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.29 -34.75 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.072 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -33.33 71.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.013 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.8 -32.31 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.161 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 15' ' ' ILE . 25.8 t80 -69.71 -31.96 70.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.269 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.3 p -76.08 -18.88 59.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -85.03 -25.69 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.492 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 12' ' ' PHE . 11.1 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 7' ' ' ARG . 18.8 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -47.0 -26.14 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.744 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -39.8 75.25 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.128 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HB2' HG12 ' A' ' 4' ' ' VAL . 6.5 mmp_? -64.14 -32.13 73.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.926 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -34.0 76.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.314 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -38.26 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.944 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -32.19 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.048 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -18.94 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.427 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -17.45 46.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.455 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.612 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.581 HG23 ' HD2' ' A' ' 7' ' ' ARG . 7.3 p . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -50.12 -25.05 3.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.336 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -68.1 -38.11 81.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.005 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.581 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.59 -37.63 84.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.096 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -42.74 99.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.086 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.86 -29.09 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.939 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -69.31 -39.51 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.04 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -65.11 -35.93 82.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.171 179.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.694 ' HA ' HD12 ' A' ' 15' ' ' ILE . 7.2 t80 -67.85 -31.63 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.162 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -74.16 -19.41 60.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.627 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -83.95 -22.82 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 12' ' ' PHE . 12.1 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.912 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.47 HG23 ' HD3' ' A' ' 7' ' ' ARG . 7.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.15 -25.4 2.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.606 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -69.73 -39.93 76.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.0 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HD3' HG23 ' A' ' 4' ' ' VAL . 11.3 mtp180 -62.45 -32.03 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.24 -33.79 76.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.277 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.06 -34.24 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.285 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.42 -32.14 70.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.159 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -65.9 -34.75 78.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.162 179.257 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -64.65 -33.43 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.117 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -71.46 -17.6 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.588 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -21.02 32.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.577 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 4' ' ' VAL . 44.8 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.29 -26.94 0.9 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.881 -1.508 . . . . 0.0 111.97 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -45.07 58.04 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.871 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -66.0 -30.73 71.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.715 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -35.17 79.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.036 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.97 -32.96 71.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.114 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -70.29 -33.38 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -34.95 74.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.215 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.3 t80 -69.2 -32.06 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.104 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -17.43 60.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -85.05 -23.55 28.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 12' ' ' PHE . 15.6 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -48.4 -25.39 1.6 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.553 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -69.35 -36.79 77.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.002 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -63.22 -34.11 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.034 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.2 tp -62.88 -39.15 93.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -32.9 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.096 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -66.44 -41.06 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.985 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.04 73.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.056 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.99 -31.39 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.025 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -70.29 -19.32 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.584 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -81.84 -21.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.731 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.937 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.82 0.343 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -94.77 46.2 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -130.71 39.09 3.65 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.32 -8.73 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.57 ' HA ' HD13 ' A' ' 8' ' ' LEU . 73.6 t80 -47.47 -26.28 1.33 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.693 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.021 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -31.99 73.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -62.59 -36.69 83.53 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.269 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.38 -35.85 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -70.01 -33.0 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.877 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.95 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.26 -33.18 75.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -71.36 -18.07 62.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -83.7 -22.55 32.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.521 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.21 -20.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.062 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.08 30.09 1.98 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -94.15 -33.1 13.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.667 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -75.53 -28.1 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -57.21 139.13 53.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -93.75 47.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -131.15 38.76 3.62 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.408 HG13 ' HD3' ' A' ' 7' ' ' ARG . 43.0 t -68.76 -8.65 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.13 -25.16 1.98 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.925 -1.489 . . . . 0.0 111.684 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 11.7 tttp -71.99 -33.29 68.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.093 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HD3' HG13 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.773 179.012 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.83 -46.96 82.7 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.16 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 10.5 pt-20 -68.51 -27.23 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -70.14 -33.15 71.44 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.888 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 -41.26 93.5 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.323 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.41 -17.97 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.367 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -82.92 -20.27 35.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.719 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mt -85.09 -29.33 6.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.835 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.94 39.74 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -58.6 119.74 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -95.06 -65.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -83.99 82.24 8.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.45 47.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -129.34 38.83 3.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 t -68.46 -8.84 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -47.47 -25.99 1.24 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.615 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -68.68 -42.28 78.07 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.086 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.97 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -63.56 -37.8 88.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.264 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.195 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -35.33 74.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.869 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -32.72 74.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.118 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.639 ' HA ' HD12 ' A' ' 15' ' ' ILE . 26.9 t80 -65.72 -34.69 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.16 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -71.5 -17.48 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -84.48 -20.13 32.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.554 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 12' ' ' PHE . 19.1 mt -85.13 -29.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.17 75.49 1.47 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -95.07 111.31 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -75.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -96.46 -63.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.902 0.382 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 55.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.657 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.59 41.14 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.439 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.3 p -68.56 -8.25 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' A' ' 8' ' ' LEU . 16.0 t80 -48.13 -25.34 1.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.577 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -36.69 76.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.941 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -62.08 -33.14 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.922 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.545 HD12 ' HD1' ' A' ' 5' ' ' PHE . 28.6 mt -61.22 -40.67 94.85 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.275 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.28 -34.34 77.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -64.83 -37.36 87.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.885 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.25 -37.17 82.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -63.18 -33.65 75.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.044 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.83 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.435 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -18.85 43.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -84.44 -29.72 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.833 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.77 30.66 6.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.08 -40.16 90.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -58.76 -30.57 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 44.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 48.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 38.03 3.24 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 4' ' ' VAL . 44.3 t -71.06 -5.66 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 176.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -50.75 -23.94 3.06 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -70.93 -43.72 67.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.028 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.198 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -34.59 76.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -35.83 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.848 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.899 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.97 -37.43 87.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -16.01 63.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.518 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -84.66 -19.83 32.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.613 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -85.06 -30.4 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.891 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -113.56 31.17 6.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -62.04 121.04 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.54 -65.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.68 -73.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.753 0.311 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.29 49.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -117.94 39.35 3.4 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.06 -9.71 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.841 ' HA ' HD12 ' A' ' 8' ' ' LEU . 40.5 t80 -48.86 -25.82 2.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.356 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -67.99 -38.32 82.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.05 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -62.65 -38.4 90.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.108 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 5' ' ' PHE . 10.5 mt -63.08 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.227 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.96 71.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.025 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -42.32 79.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.998 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.59 -33.97 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HA ' HD12 ' A' ' 15' ' ' ILE . 30.4 t80 -66.2 -30.64 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.992 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -70.39 -20.41 62.94 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.549 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -80.49 -21.5 41.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.737 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 12' ' ' PHE . 22.7 mt -85.21 -34.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.06 30.05 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -61.64 -175.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -95.12 25.44 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 30.77 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.391 -0.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 47.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -117.28 38.36 3.58 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.3 p -70.15 -7.33 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -45.87 -26.78 0.74 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 113.932 -1.486 . . . . 0.0 111.788 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -42.43 74.02 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -63.85 -32.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.936 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.15 -35.78 82.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.233 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.03 -31.55 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.26 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -39.59 75.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.087 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 4.0 mm? -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.88 -26.44 63.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.027 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -73.85 -21.97 59.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.656 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -80.9 -19.5 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 179.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 mm -85.02 -28.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.978 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.88 -5.53 28.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.502 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -95.1 27.0 3.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.774 0.321 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -95.0 -31.01 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.824 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.32 -47.13 9.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 47.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -160.48 39.32 0.17 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.69 -9.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -48.27 -26.03 1.81 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.469 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -68.27 -38.99 82.28 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.045 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -62.15 -33.73 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.018 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -36.42 83.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.294 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -66.24 -33.54 75.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.24 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -67.58 -38.64 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -32.38 73.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.043 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HA ' HD12 ' A' ' 15' ' ' ILE . 31.5 t80 -64.06 -36.66 84.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -18.62 64.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.5 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -83.02 -18.04 41.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.531 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 12' ' ' PHE . 20.7 mt -85.03 -30.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.891 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -76.91 -31.0 56.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.77 111.6 3.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.01 -34.13 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.0 163.62 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.82 0.343 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -99.62 53.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 44.94 39.49 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.355 0.598 . . . . 0.0 111.457 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.89 -7.41 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -48.18 -25.48 1.51 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.634 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -69.77 -36.73 76.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.989 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -33.64 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.027 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.31 -40.29 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.289 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.38 -31.83 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.066 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -36.02 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.1 -37.62 88.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.38 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.44 -32.86 74.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.103 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -18.08 61.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.514 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -83.42 -22.07 32.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.652 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mt -85.18 -29.37 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.927 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.9 -46.59 11.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.36 -50.67 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.87 44.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -31.05 39.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.407 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.821 0.343 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.3 38.2 0.63 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.082 0.467 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 4' ' ' VAL . 46.3 t -70.11 -6.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -48.83 -24.97 1.63 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.933 -1.485 . . . . 0.0 111.791 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -41.89 69.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.02 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -63.28 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.884 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.39 -38.37 90.79 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.189 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -32.51 73.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.115 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -68.8 -34.12 75.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.842 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -35.23 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.243 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.64 -35.2 80.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.094 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -83.14 -17.33 43.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.503 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.8 mt -85.1 -30.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.79 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.84 -41.79 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.15 139.62 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.13 25.2 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.02 -56.18 2.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.334 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.97 47.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -149.71 38.03 0.75 Allowed 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.1 -7.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -48.96 -24.99 1.7 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.664 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -70.61 -39.48 73.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.139 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -64.24 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -35.13 80.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.17 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -32.77 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.246 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -69.53 -39.32 77.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.941 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -32.12 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.004 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -66.35 -33.8 76.54 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.091 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -70.14 -18.49 63.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.507 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -82.98 -18.88 38.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.631 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm -85.05 -30.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.927 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.82 -58.47 2.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.38 159.38 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.81 -73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -96.07 164.74 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.801 0.334 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HG2' ' CG2' ' A' ' 4' ' ' VAL . 12.9 ptmt -100.03 52.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? 39.47 39.65 0.5 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.054 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.583 HG13 ' HD3' ' A' ' 7' ' ' ARG . 16.0 t -68.19 -10.14 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -48.7 -25.61 1.89 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.953 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.85 -41.74 71.05 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.081 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.583 ' HD3' HG13 ' A' ' 4' ' ' VAL . 21.5 mtp180 -62.72 -28.86 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.9 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.03 -38.72 92.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.359 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.78 -33.74 74.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.114 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.833 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -34.1 77.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.17 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 14.0 t80 -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.187 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -69.69 -17.56 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -83.62 -18.12 39.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.493 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 12' ' ' PHE . 21.3 mt -84.57 -30.19 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.73 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -63.89 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.06 177.48 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -92.86 -61.55 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -46.64 12.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' HD3' HG12 ' A' ' 4' ' ' VAL . 3.7 tmtm? -100.05 53.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.57 37.49 1.48 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.098 0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p -71.9 -5.69 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -46.5 -25.87 0.76 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.043 -1.435 . . . . 0.0 111.953 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.14 -43.5 67.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.979 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.1 -30.53 71.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.654 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.011 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.36 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 109.758 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.852 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.662 ' HA ' HD12 ' A' ' 15' ' ' ILE . 17.1 t80 -63.43 -35.68 81.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -16.98 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -84.54 -19.5 33.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.564 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 12' ' ' PHE . 18.9 mt -85.17 -30.59 6.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.771 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.17 72.65 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -66.22 172.23 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.7 -59.24 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.08 -46.85 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.766 0.317 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.49 47.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 1' ' ' ALA . 22.2 pttm -137.15 37.59 2.54 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.104 0.478 . . . . 0.0 111.186 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p -70.22 -8.09 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 176.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -48.83 -25.23 1.76 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.707 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -69.97 -43.48 71.43 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.114 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.45 -38.15 90.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -68.59 -31.96 71.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -70.0 -33.3 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.04 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -33.47 75.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.197 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.0 -33.69 76.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.01 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -19.44 63.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -80.79 -18.9 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.447 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mt -81.97 -31.11 10.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.764 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -102.11 -49.65 3.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -94.97 150.78 19.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -76.9 -64.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -82.76 89.73 6.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 54.05 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.741 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 41.18 1.1 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.256 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p -67.16 -8.77 8.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 176.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -48.84 -25.39 1.85 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.541 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -69.6 -36.36 76.14 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.962 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.41 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.954 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.76 -39.63 92.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.296 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.29 -34.75 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.072 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -33.33 71.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.013 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.8 -32.31 70.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.161 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 15' ' ' ILE . 25.8 t80 -69.71 -31.96 70.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.269 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.3 p -76.08 -18.88 59.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -85.03 -25.69 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.492 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 12' ' ' PHE . 11.1 mt -85.35 -30.34 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.76 -51.35 14.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -75.41 129.49 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.16 30.65 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -104.99 -59.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.793 0.33 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -96.92 46.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -145.63 38.25 1.12 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 7' ' ' ARG . 18.8 t -70.43 -6.95 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 176.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -47.0 -26.14 0.95 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.744 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.12 -39.8 75.25 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.128 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HB2' HG12 ' A' ' 4' ' ' VAL . 6.5 mmp_? -64.14 -32.13 73.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.926 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 -34.0 76.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.314 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -38.26 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.944 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -32.19 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.048 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -18.94 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.427 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -17.45 46.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.455 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mt -85.01 -26.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.97 28.26 3.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -95.04 70.1 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -95.21 30.92 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -104.87 32.77 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -93.04 48.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -100.55 40.07 1.3 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.581 HG23 ' HD2' ' A' ' 7' ' ' ARG . 7.3 p -66.17 -11.45 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 176.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -50.12 -25.05 3.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.336 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -68.1 -38.11 81.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.005 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.581 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.59 -37.63 84.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.096 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -42.74 99.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.086 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.86 -29.09 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.939 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -69.31 -39.51 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.04 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -65.11 -35.93 82.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.171 179.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.694 ' HA ' HD12 ' A' ' 15' ' ' ILE . 7.2 t80 -67.85 -31.63 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.162 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -74.16 -19.41 60.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.627 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -83.95 -22.82 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 12' ' ' PHE . 12.1 mt -85.25 -28.53 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.912 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -97.24 37.17 1.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.03 179.84 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.38 -34.71 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -32.93 16.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -94.25 47.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -148.29 39.01 0.89 Allowed 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG23 ' HD3' ' A' ' 7' ' ' ARG . 7.2 p -68.64 -8.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 176.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -49.15 -25.4 2.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.606 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -69.73 -39.93 76.51 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.0 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HD3' HG23 ' A' ' 4' ' ' VAL . 11.3 mtp180 -62.45 -32.03 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.24 -33.79 76.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.277 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.06 -34.24 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.285 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.42 -32.14 70.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.159 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -65.9 -34.75 78.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.162 179.257 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -64.65 -33.43 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.117 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -71.46 -17.6 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.588 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -21.02 32.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.9 mt -85.1 -29.8 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -95.5 -21.16 18.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -95.04 35.83 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.133 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.29 29.31 2.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -75.72 -64.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.788 0.328 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -99.97 46.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -136.81 36.44 2.62 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 4' ' ' VAL . 44.8 t -72.07 -6.46 7.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 176.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.29 -26.94 0.9 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.881 -1.508 . . . . 0.0 111.97 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -45.07 58.04 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.871 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -66.0 -30.73 71.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.715 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -35.17 79.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.036 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -69.97 -32.96 71.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.114 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -70.29 -33.38 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -34.95 74.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.215 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.3 t80 -69.2 -32.06 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.104 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -17.43 60.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -85.05 -23.55 28.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 12' ' ' PHE . 15.6 mt -85.27 -29.42 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.57 36.75 2.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -59.33 118.91 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.02 -47.22 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -101.49 127.78 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.787 0.327 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.52 48.12 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.6 39.02 2.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.14 -9.06 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -48.4 -25.39 1.6 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.553 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -69.35 -36.79 77.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.002 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -63.22 -34.11 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.034 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.2 tp -62.88 -39.15 93.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -32.9 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.096 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -66.44 -41.06 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.985 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.04 73.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.056 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.99 -31.39 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.025 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -70.29 -19.32 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.584 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -81.84 -21.19 37.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.731 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mt -85.16 -29.4 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.937 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -26.41 50.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -55.73 -29.55 59.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.07 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.88 -55.83 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.61 106.8 18.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.318 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_