data_6v1n_residue ############################ # Computer software used # ############################ 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 6v1n _Structure_validation_residue.Date_analyzed 2020-01-03 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 ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 . . . . . 0 N--CA 1.408 -2.529 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -43.94 99.08 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.403 0 CA-C-N 111.526 -2.579 . . . . 0.0 109.613 -177.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.548 ' C ' ' H ' ' A' ' 7' ' ' PHE . 3.7 p . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.861 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.824 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.446 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.306 0 CA-C-O 127.099 3.333 . . . . 0.0 117.744 . . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.5 m-85 84.62 135.16 0.05 Allowed 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 104.188 -5.914 . . . . 0.0 114.391 176.575 . . . . . . . . 5 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.777 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.76 51.35 7.69 Favored 'General case' 1 N--CA 1.378 -4.042 1 CA-C-N 105.666 -5.243 . . . . 0.0 107.815 -178.902 . . . . . . . . 5 4 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.0 tt0 -172.22 4.47 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.673 0 C-N-CA 117.756 -1.578 . . . . 0.0 110.238 -175.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.824 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 20.7 m-85 -146.55 -37.09 0.24 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.178 2.418 . . . . 0.0 109.668 -176.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.85 -32.45 4.98 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.338 0 CA-C-N 109.009 -3.723 . . . . 0.0 105.631 -176.834 . . . . . . . . 5 4 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.777 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.46 -5.12 12.26 Favored 'General case' 1 N--CA 1.355 -5.219 1 CA-C-N 106.321 -4.945 . . . . 0.0 112.521 -167.817 . . . . . . . . 6 4 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.576 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.2 pt20 -49.53 -32.72 12.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.711 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -85.05 -19.28 32.2 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.603 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -98.74 -32.48 11.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.262 1.743 0 CA-C-N 112.603 -2.09 . . . . 0.0 108.019 179.363 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 N--CA 1.407 -2.585 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.596 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -38.25 98.32 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.209 0 CA-C-N 111.181 -2.736 . . . . 0.0 109.936 -178.287 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.554 ' C ' ' H ' ' A' ' 7' ' ' PHE . 23.0 t . . . . . 0 C--N 1.352 0.675 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.286 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.836 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.437 0.8 OUTLIER . . . . . 0 CA--C 1.438 -3.343 0 CA-C-O 127.169 3.366 . . . . 0.0 117.772 . . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 29.9 m-85 84.84 135.15 0.05 Allowed 'General case' 1 N--CA 1.358 -5.065 1 CA-C-N 104.207 -5.906 . . . . 0.0 114.356 176.551 . . . . . . . . 5 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.779 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.75 51.49 7.58 Favored 'General case' 1 N--CA 1.378 -4.048 1 CA-C-N 105.671 -5.24 . . . . 0.0 107.688 -178.993 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.2 tt0 -172.41 4.29 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.672 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.296 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.836 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.346 18.0 m-85 -146.19 -37.45 0.24 Allowed 'General case' 0 CA--C 1.45 -2.884 0 CA-C-O 125.154 2.407 . . . . 0.0 109.608 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.6 OUTLIER -92.53 -32.78 5.14 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.349 0 CA-C-N 108.854 -3.794 . . . . 0.0 105.77 -176.859 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.779 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.6 -6.87 12.21 Favored 'General case' 1 N--CA 1.354 -5.229 1 CA-C-N 106.364 -4.926 . . . . 0.0 112.639 -167.672 . . . . . . . . 6 4 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.72 -33.31 2.92 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.288 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.82 -23.01 58.39 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.181 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -111.35 -44.38 3.55 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt . . . . . 0 C--O 1.263 1.765 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.075 -179.184 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 . . . . . 0 N--CA 1.413 -2.291 0 N-CA-C 103.242 -2.873 . . . . 0.0 103.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -47.21 93.95 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.175 0 CA-C-N 110.943 -2.844 . . . . 0.0 110.283 -177.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 CA--C 1.509 -0.603 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.228 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.852 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.414 0 CA-C-O 126.655 3.121 . . . . 0.0 116.234 . . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 29.1 m-85 86.2 134.85 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.869 -5.605 . . . . 0.0 113.926 176.828 . . . . . . . . 5 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.79 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.1 50.24 8.37 Favored 'General case' 1 N--CA 1.377 -4.087 1 CA-C-N 105.77 -5.196 . . . . 0.0 107.607 -178.735 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.683 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -170.33 4.73 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.667 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.242 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.852 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.348 13.7 m-85 -147.2 -38.73 0.2 Allowed 'General case' 0 CA--C 1.448 -2.956 0 CA-C-O 125.3 2.476 . . . . 0.0 109.8 -176.25 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.77 ' H ' HD12 ' A' ' 12' ' ' ILE 0.261 0.6 OUTLIER -91.21 -32.87 5.43 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.418 0 CA-C-N 108.646 -3.888 . . . . 0.0 105.659 -176.685 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.79 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -116.45 -7.23 11.7 Favored 'General case' 1 N--CA 1.353 -5.307 1 CA-C-N 106.387 -4.915 . . . . 0.0 112.601 -167.703 . . . . . . . . 6 4 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.569 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.6 pt20 -42.99 -34.74 1.04 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.344 -1.298 . . . . 0.0 112.746 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -73.47 -20.72 60.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.037 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -115.13 -53.81 2.6 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.263 1.796 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.098 179.467 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 . . . . . 0 N--CA 1.413 -2.277 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.593 HD23 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -49.51 98.05 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 111.019 -2.81 . . . . 0.0 108.986 -177.631 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 73.3 m . . . . . 0 C--N 1.35 0.592 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.579 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.837 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.442 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.315 0 CA-C-O 127.04 3.305 . . . . 0.0 117.912 . . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.756 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.5 135.1 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.175 -5.92 . . . . 0.0 114.282 176.603 . . . . . . . . 5 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.793 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.92 51.33 7.43 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.715 -179.04 . . . . . . . . 5 4 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.68 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.09 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.773 -1.571 . . . . 0.0 110.248 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.837 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 18.7 m-85 -145.47 -37.97 0.26 Allowed 'General case' 0 CA--C 1.447 -2.997 0 CA-C-O 125.052 2.358 . . . . 0.0 109.547 -176.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.779 HD11 ' H ' ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.36 -33.21 5.36 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.442 0 CA-C-N 108.829 -3.805 . . . . 0.0 105.778 -176.68 . . . . . . . . 5 4 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.793 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.12 -4.98 11.91 Favored 'General case' 1 N--CA 1.355 -5.18 1 CA-C-N 106.381 -4.918 . . . . 0.0 112.647 -167.594 . . . . . . . . 6 4 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.5 pt20 -46.33 -32.79 3.36 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.304 -1.316 . . . . 0.0 112.361 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -84.56 -19.32 33.33 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.071 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.97 -38.96 6.77 Favored 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--O 1.263 1.769 0 CA-C-N 112.428 -2.169 . . . . 0.0 107.981 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.404 -2.732 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.606 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -32.48 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 111.257 -2.701 . . . . 0.0 111.037 -177.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.508 -0.672 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.861 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.409 0 CA-C-O 126.722 3.153 . . . . 0.0 116.176 . . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.744 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.342 30.4 m-85 85.95 134.36 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.265 1 CA-C-N 104.745 -5.662 . . . . 0.0 113.751 176.818 . . . . . . . . 5 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.773 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.91 50.6 6.67 Favored 'General case' 1 N--CA 1.376 -4.159 1 CA-C-N 105.796 -5.184 . . . . 0.0 107.575 -179.108 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.681 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.6 tt0 -171.29 4.59 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.595 0 C-N-CA 117.835 -1.546 . . . . 0.0 110.141 -175.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.861 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.336 12.8 m-85 -145.41 -39.66 0.24 Allowed 'General case' 0 CA--C 1.449 -2.933 0 CA-C-O 125.224 2.44 . . . . 0.0 109.583 -176.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.769 HD11 ' H ' ' A' ' 12' ' ' ILE 0.268 0.6 OUTLIER -92.41 -33.63 5.6 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.473 0 CA-C-N 108.575 -3.92 . . . . 0.0 106.74 -175.512 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.773 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.411 0.0 OUTLIER -114.42 -10.92 12.56 Favored 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 106.658 -4.792 . . . . 0.0 113.496 -166.825 . . . . . . . . 6 4 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.584 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.6 pt20 -48.67 -31.8 7.34 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.503 -1.226 . . . . 0.0 112.174 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 9.1 ptm180 -75.39 -21.49 58.22 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.341 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -114.39 -44.15 3.13 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.381 -1.341 . . . . 0.0 107.381 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.701 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.229 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 . . . . . 0 N--CA 1.412 -2.345 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.599 HD21 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.33 98.31 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 111.053 -2.794 . . . . 0.0 109.181 -177.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.548 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.3 p . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.068 -1.424 . . . . 0.0 111.529 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.84 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.297 0 CA-C-O 127.027 3.298 . . . . 0.0 117.81 . . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.1 m-85 84.77 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.092 1 CA-C-N 104.222 -5.899 . . . . 0.0 114.397 176.64 . . . . . . . . 5 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.79 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.31 7.39 Favored 'General case' 1 N--CA 1.379 -4.012 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.717 -179.009 . . . . . . . . 5 4 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.681 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.34 4.39 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.604 0 C-N-CA 117.768 -1.573 . . . . 0.0 110.264 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.84 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.3 m-85 -146.08 -37.65 0.25 Allowed 'General case' 0 CA--C 1.449 -2.94 0 CA-C-O 125.202 2.429 . . . . 0.0 109.62 -176.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.778 HD13 ' H ' ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.52 -33.11 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.322 0 CA-C-N 108.796 -3.82 . . . . 0.0 105.758 -176.7 . . . . . . . . 5 4 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.79 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.414 0.0 OUTLIER -115.38 -7.05 12.33 Favored 'General case' 1 N--CA 1.355 -5.223 1 CA-C-N 106.337 -4.938 . . . . 0.0 112.604 -167.691 . . . . . . . . 6 4 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.577 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.17 -33.25 2.18 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.378 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.58 -22.73 56.71 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.255 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -111.71 -39.43 4.59 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.262 1.73 0 CA-C-N 114.198 -1.365 . . . . 0.0 107.982 -179.342 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 N--CA 1.413 -2.282 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.601 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.1 mt -49.94 98.18 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.419 0 CA-C-N 111.027 -2.806 . . . . 0.0 109.079 -177.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 7' ' ' PHE . 23.2 t . . . . . 0 C--N 1.349 0.574 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.326 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.84 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.44 -3.282 0 CA-C-O 127.129 3.347 . . . . 0.0 117.748 . . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.756 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.49 135.08 0.05 Allowed 'General case' 1 N--CA 1.357 -5.089 1 CA-C-N 104.12 -5.946 . . . . 0.0 114.313 176.64 . . . . . . . . 5 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.792 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.42 7.3 Favored 'General case' 1 N--CA 1.377 -4.102 1 CA-C-N 105.644 -5.253 . . . . 0.0 107.756 -179.06 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.681 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.38 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.812 -1.555 . . . . 0.0 110.283 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.84 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 18.8 m-85 -145.34 -37.77 0.27 Allowed 'General case' 0 CA--C 1.448 -2.979 0 CA-C-O 125.057 2.361 . . . . 0.0 109.61 -176.365 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.777 HD13 ' H ' ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.5 -33.22 5.34 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.408 0 CA-C-N 108.77 -3.832 . . . . 0.0 105.757 -176.806 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -115.88 -4.15 12.11 Favored 'General case' 1 N--CA 1.355 -5.224 1 CA-C-N 106.336 -4.938 . . . . 0.0 112.658 -167.639 . . . . . . . . 6 4 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.589 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.4 pt20 -47.76 -31.92 5.37 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.106 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 11.6 ptm180 -83.0 -19.2 37.45 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.88 -175.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -105.46 -39.86 5.99 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.925 -179.502 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 . . . . . 0 N--CA 1.404 -2.725 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.604 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.1 mt -35.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 111.321 -2.672 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 7' ' ' PHE . 74.7 m . . . . . 0 C--N 1.352 0.681 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.501 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.832 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.313 0 CA-C-O 127.082 3.325 . . . . 0.0 117.862 . . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.4 m-85 84.64 135.06 0.05 Allowed 'General case' 1 N--CA 1.357 -5.088 1 CA-C-N 104.189 -5.914 . . . . 0.0 114.422 176.621 . . . . . . . . 5 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.782 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.91 51.11 7.65 Favored 'General case' 1 N--CA 1.379 -4.017 1 CA-C-N 105.692 -5.231 . . . . 0.0 107.669 -179.016 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.684 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.14 4.64 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.662 0 C-N-CA 117.794 -1.562 . . . . 0.0 110.28 -175.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 17.8 m-85 -146.05 -38.1 0.24 Allowed 'General case' 0 CA--C 1.45 -2.875 0 CA-C-O 125.227 2.441 . . . . 0.0 109.462 -176.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.16 -32.96 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.336 0 CA-C-N 108.722 -3.854 . . . . 0.0 105.825 -176.671 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.782 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.52 -7.05 12.25 Favored 'General case' 1 N--CA 1.355 -5.189 1 CA-C-N 106.448 -4.887 . . . . 0.0 112.725 -167.63 . . . . . . . . 6 4 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -46.75 -33.11 4.09 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.362 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -83.51 -18.33 38.83 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.065 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -105.83 -38.9 6.21 Favored 'General case' 0 CA--C 1.473 -2.004 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt . . . . . 0 C--O 1.262 1.728 0 CA-C-N 112.468 -2.151 . . . . 0.0 107.968 -179.671 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 . . . . . 0 N--CA 1.407 -2.583 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.595 HD21 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -35.75 99.23 0.02 OUTLIER 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 111.095 -2.775 . . . . 0.0 110.123 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.0 p . . . . . 0 C--N 1.351 0.651 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.324 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.829 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.321 0 CA-C-O 127.14 3.353 . . . . 0.0 117.75 . . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.5 m-85 84.63 134.87 0.05 Allowed 'General case' 1 N--CA 1.356 -5.125 1 CA-C-N 104.187 -5.915 . . . . 0.0 114.372 176.547 . . . . . . . . 5 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.78 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.41 51.2 6.83 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.645 -5.252 . . . . 0.0 107.824 -179.067 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.683 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.2 tt0 -172.5 4.14 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.649 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.294 -175.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.829 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 17.0 m-85 -144.96 -38.29 0.27 Allowed 'General case' 0 CA--C 1.449 -2.919 0 CA-C-O 125.077 2.37 . . . . 0.0 109.487 -176.336 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.764 HD11 ' H ' ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.9 -33.46 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.344 0 CA-C-N 108.695 -3.866 . . . . 0.0 106.303 -176.251 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.78 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.99 -5.76 12.52 Favored 'General case' 1 N--CA 1.356 -5.131 1 CA-C-N 106.424 -4.898 . . . . 0.0 113.053 -167.14 . . . . . . . . 6 4 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.597 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.6 pt20 -51.4 -30.02 17.72 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.78 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -85.59 -19.3 31.26 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.936 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.5 -36.24 8.04 Favored 'General case' 0 CA--C 1.471 -2.095 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.261 1.69 0 CA-C-N 112.164 -2.289 . . . . 0.0 108.185 -179.353 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 . . . . . 0 N--CA 1.412 -2.325 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.59 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -50.02 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 111.025 -2.807 . . . . 0.0 109.802 -177.199 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.424 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.433 0 CA-C-O 126.679 3.133 . . . . 0.0 116.233 . . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 30.4 m-85 85.99 134.47 0.05 OUTLIER 'General case' 1 N--CA 1.355 -5.202 1 CA-C-N 104.782 -5.645 . . . . 0.0 113.745 176.769 . . . . . . . . 5 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.78 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.58 50.72 7.05 Favored 'General case' 1 N--CA 1.376 -4.152 1 CA-C-N 105.742 -5.208 . . . . 0.0 107.583 -179.003 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.682 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.0 tt0 -171.16 4.59 0.02 OUTLIER 'General case' 0 N--CA 1.387 -3.599 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.167 -175.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.867 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 14.3 m-85 -145.72 -39.83 0.23 Allowed 'General case' 0 CA--C 1.45 -2.887 0 CA-C-O 125.386 2.517 . . . . 0.0 109.496 -176.1 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.22 -32.97 5.26 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.441 0 CA-C-N 108.488 -3.96 . . . . 0.0 106.626 -175.524 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.78 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.14 -11.66 12.0 Favored 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 106.78 -4.736 . . . . 0.0 113.587 -166.825 . . . . . . . . 6 4 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.578 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.7 pt20 -47.98 -32.87 7.04 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.489 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 19.1 ptp180 -77.19 -21.64 53.62 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.356 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -110.89 -44.71 3.57 Favored 'General case' 0 CA--C 1.481 -1.691 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.261 1.707 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.061 -179.27 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 . . . . . 0 N--CA 1.404 -2.741 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.2 mt -33.6 99.0 0.01 OUTLIER 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 111.252 -2.704 . . . . 0.0 110.331 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.5 p . . . . . 0 C--N 1.353 0.739 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.432 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.832 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.319 0 CA-C-O 127.103 3.335 . . . . 0.0 117.755 . . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.752 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.6 m-85 84.65 134.9 0.05 Allowed 'General case' 1 N--CA 1.357 -5.12 1 CA-C-N 104.209 -5.905 . . . . 0.0 114.424 176.639 . . . . . . . . 5 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.774 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.23 51.32 6.99 Favored 'General case' 1 N--CA 1.378 -4.039 1 CA-C-N 105.682 -5.235 . . . . 0.0 107.69 -179.124 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.5 tt0 -172.65 4.8 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 117.69 -1.604 . . . . 0.0 110.208 -175.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 16.9 m-85 -146.03 -37.84 0.25 Allowed 'General case' 0 CA--C 1.45 -2.876 0 CA-C-O 125.234 2.445 . . . . 0.0 109.602 -176.541 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.97 -33.47 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.409 0 CA-C-N 108.802 -3.817 . . . . 0.0 106.097 -176.299 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.774 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.42 -8.03 12.84 Favored 'General case' 1 N--CA 1.356 -5.162 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.857 -167.367 . . . . . . . . 6 4 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.585 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.21 -31.45 5.81 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.018 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -75.81 -22.73 56.05 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.236 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -112.49 -45.31 3.26 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.262 1.717 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.146 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 N--CA 1.403 -2.781 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.607 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.1 mt -35.23 98.59 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.279 -2.691 . . . . 0.0 110.252 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 7' ' ' PHE . 24.4 t . . . . . 0 C--N 1.353 0.747 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.273 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.835 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.437 -3.369 0 CA-C-O 127.101 3.334 . . . . 0.0 117.84 . . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.4 m-85 84.56 135.12 0.05 Allowed 'General case' 1 N--CA 1.357 -5.112 1 CA-C-N 104.23 -5.895 . . . . 0.0 114.372 176.67 . . . . . . . . 5 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.779 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 51.2 7.38 Favored 'General case' 1 N--CA 1.378 -4.028 1 CA-C-N 105.685 -5.234 . . . . 0.0 107.701 -179.077 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.683 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.35 4.5 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.668 0 C-N-CA 117.837 -1.545 . . . . 0.0 110.305 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.835 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.4 m-85 -146.0 -37.79 0.25 Allowed 'General case' 0 CA--C 1.45 -2.904 0 CA-C-O 125.164 2.412 . . . . 0.0 109.533 -176.461 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.59 -33.23 5.33 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.42 0 CA-C-N 108.833 -3.803 . . . . 0.0 105.884 -176.632 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.779 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.02 -6.92 12.55 Favored 'General case' 1 N--CA 1.356 -5.164 1 CA-C-N 106.367 -4.924 . . . . 0.0 112.692 -167.615 . . . . . . . . 6 4 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.578 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.85 -31.95 3.42 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.208 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.87 -23.3 58.38 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.042 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -111.15 -45.69 3.4 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt . . . . . 0 C--O 1.262 1.716 0 CA-C-N 113.731 -1.577 . . . . 0.0 108.12 -179.403 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 . . . . . 0 N--CA 1.413 -2.306 0 N-CA-C 103.236 -2.876 . . . . 0.0 103.236 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -49.42 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 111.011 -2.813 . . . . 0.0 109.836 -177.288 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.863 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.421 0.5 OUTLIER . . . . . 0 CA--C 1.435 -3.458 0 CA-C-O 126.756 3.169 . . . . 0.0 116.098 . . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.34 29.6 m-85 85.82 134.51 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.254 1 CA-C-N 104.675 -5.693 . . . . 0.0 113.72 176.822 . . . . . . . . 5 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.79 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.63 50.77 6.91 Favored 'General case' 1 N--CA 1.375 -4.181 1 CA-C-N 105.718 -5.219 . . . . 0.0 107.632 -178.937 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.4 tt0 -171.07 4.07 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.665 0 C-N-CA 117.899 -1.52 . . . . 0.0 110.228 -175.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.863 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.345 14.1 m-85 -145.88 -38.7 0.24 Allowed 'General case' 0 CA--C 1.447 -2.991 0 CA-C-O 125.134 2.397 . . . . 0.0 109.699 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.35 -33.41 5.48 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.444 0 CA-C-N 108.677 -3.874 . . . . 0.0 106.082 -176.132 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.79 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.415 0.0 OUTLIER -115.52 -6.57 12.25 Favored 'General case' 1 N--CA 1.356 -5.135 1 CA-C-N 106.559 -4.837 . . . . 0.0 113.014 -167.214 . . . . . . . . 6 4 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.591 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.4 pt20 -47.44 -31.38 4.11 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.079 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.65 -23.59 58.69 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.988 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -111.04 -46.26 3.35 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt . . . . . 0 C--O 1.262 1.72 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.17 -179.212 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 . . . . . 0 N--CA 1.413 -2.289 0 N-CA-C 103.223 -2.88 . . . . 0.0 103.223 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.611 HD21 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.72 98.75 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 CA-C-N 111.078 -2.783 . . . . 0.0 109.14 -177.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.5 p . . . . . 0 C--N 1.35 0.598 0 CA-C-N 114.077 -1.419 . . . . 0.0 111.715 -177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.833 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.315 0 CA-C-O 127.188 3.375 . . . . 0.0 117.68 . . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.764 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.0 m-85 84.3 135.07 0.05 Allowed 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.007 -5.997 . . . . 0.0 114.332 176.712 . . . . . . . . 5 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.807 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 52.65 6.13 Favored 'General case' 1 N--CA 1.376 -4.148 1 CA-C-N 105.588 -5.278 . . . . 0.0 107.988 -178.956 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.678 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.9 tt0 -173.38 1.02 0.01 OUTLIER 'General case' 0 N--CA 1.389 -3.493 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.59 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.833 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.333 17.5 m-85 -141.02 -40.09 0.4 Allowed 'General case' 0 CA--C 1.449 -2.925 0 CA-C-O 125.496 2.569 . . . . 0.0 109.088 -175.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.5 OUTLIER -90.99 -33.32 5.72 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.497 1 CA-C-N 108.176 -4.102 . . . . 0.0 105.12 -177.492 . . . . . . . . 6 4 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.807 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.406 0.0 OUTLIER -118.79 59.75 0.82 Allowed 'General case' 1 N--CA 1.345 -5.715 1 CA-C-N 106.517 -4.856 . . . . 0.0 110.438 -168.271 . . . . . . . . 6 4 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.579 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -137.94 -32.7 0.73 Allowed 'General case' 0 C--N 1.283 -2.298 0 CA-C-N 113.489 -1.687 . . . . 0.0 108.687 -178.657 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -87.65 -19.94 27.01 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.287 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -102.7 -28.61 12.01 Favored 'General case' 0 CA--C 1.473 -1.987 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.703 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.241 -179.487 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.59 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.77 97.75 0.01 OUTLIER 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 111.117 -2.765 . . . . 0.0 108.855 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 7' ' ' PHE . 73.3 m . . . . . 0 C--N 1.35 0.63 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.597 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.841 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.438 -3.335 0 CA-C-O 127.103 3.335 . . . . 0.0 117.81 . . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.62 134.91 0.05 Allowed 'General case' 1 N--CA 1.357 -5.106 1 CA-C-N 104.159 -5.928 . . . . 0.0 114.332 176.663 . . . . . . . . 5 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.27 51.21 7.03 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 105.675 -5.239 . . . . 0.0 107.754 -179.154 . . . . . . . . 5 4 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.682 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.46 4.78 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.758 -1.577 . . . . 0.0 110.246 -175.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.841 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.9 m-85 -146.16 -37.79 0.24 Allowed 'General case' 0 CA--C 1.45 -2.901 0 CA-C-O 125.207 2.432 . . . . 0.0 109.604 -176.541 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.777 HD11 ' H ' ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.89 -33.07 5.17 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.319 0 CA-C-N 108.815 -3.811 . . . . 0.0 106.078 -176.439 . . . . . . . . 5 4 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.787 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -114.92 -8.29 12.53 Favored 'General case' 1 N--CA 1.356 -5.168 1 CA-C-N 106.441 -4.891 . . . . 0.0 112.724 -167.472 . . . . . . . . 6 4 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.94 -31.7 3.33 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.329 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -78.31 -20.84 50.66 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.565 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -114.99 -38.84 3.79 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.672 0 CA-C-N 113.927 -1.488 . . . . 0.0 108.096 -179.194 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 . . . . . 0 N--CA 1.41 -2.438 0 N-CA-C 103.131 -2.915 . . . . 0.0 103.131 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.73 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.341 0 CA-C-N 111.027 -2.806 . . . . 0.0 108.906 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 7' ' ' PHE . 22.9 t . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.379 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.835 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.312 0 CA-C-O 127.054 3.311 . . . . 0.0 117.767 . . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.2 m-85 84.75 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 104.134 -5.939 . . . . 0.0 114.382 176.626 . . . . . . . . 5 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.78 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.87 51.36 7.5 Favored 'General case' 1 N--CA 1.378 -4.073 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.683 -179.045 . . . . . . . . 5 4 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.681 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.41 4.41 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.634 0 C-N-CA 117.839 -1.544 . . . . 0.0 110.332 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.835 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 17.8 m-85 -146.01 -37.62 0.25 Allowed 'General case' 0 CA--C 1.449 -2.906 0 CA-C-O 125.167 2.413 . . . . 0.0 109.619 -176.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.767 HD11 ' H ' ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.56 -33.14 5.29 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.378 0 CA-C-N 108.792 -3.822 . . . . 0.0 105.823 -176.789 . . . . . . . . 5 4 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.78 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.07 -5.78 12.48 Favored 'General case' 1 N--CA 1.355 -5.203 1 CA-C-N 106.375 -4.92 . . . . 0.0 112.712 -167.624 . . . . . . . . 6 4 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.1 pt20 -48.99 -31.94 8.31 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 11.1 ptm180 -85.12 -19.08 32.38 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.689 -175.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -100.97 -36.46 9.02 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 113.007 -1.906 . . . . 0.0 108.202 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 N--CA 1.404 -2.75 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.603 HD21 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -33.57 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 111.291 -2.686 . . . . 0.0 110.385 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.4 p . . . . . 0 C--N 1.352 0.683 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.38 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.832 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.319 0 CA-C-O 127.098 3.333 . . . . 0.0 117.713 . . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.69 134.85 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.158 -5.928 . . . . 0.0 114.366 176.623 . . . . . . . . 5 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.774 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.35 50.99 7.09 Favored 'General case' 1 N--CA 1.378 -4.061 1 CA-C-N 105.705 -5.225 . . . . 0.0 107.743 -179.196 . . . . . . . . 5 4 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.682 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.6 tt0 -172.42 4.95 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.701 -1.6 . . . . 0.0 110.22 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.832 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.5 m-85 -146.09 -37.78 0.24 Allowed 'General case' 0 CA--C 1.45 -2.895 0 CA-C-O 125.302 2.477 . . . . 0.0 109.598 -176.552 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -93.07 -33.38 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.388 0 CA-C-N 108.847 -3.797 . . . . 0.0 106.182 -176.3 . . . . . . . . 5 4 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.774 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.3 -8.51 12.89 Favored 'General case' 1 N--CA 1.356 -5.128 1 CA-C-N 106.447 -4.888 . . . . 0.0 112.819 -167.435 . . . . . . . . 6 4 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.587 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.23 -30.76 5.04 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.005 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -76.71 -21.03 55.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.508 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -117.11 -40.96 3.05 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.262 1.722 0 CA-C-N 113.847 -1.524 . . . . 0.0 108.231 -179.066 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 . . . . . 0 N--CA 1.414 -2.234 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.606 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -48.35 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 111.037 -2.801 . . . . 0.0 109.215 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.546 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.0 p . . . . . 0 C--N 1.351 0.645 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.498 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.838 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.441 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.309 0 CA-C-O 127.101 3.334 . . . . 0.0 117.78 . . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.757 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.353 30.0 m-85 84.8 135.32 0.05 Allowed 'General case' 1 N--CA 1.357 -5.117 1 CA-C-N 104.208 -5.905 . . . . 0.0 114.425 176.594 . . . . . . . . 5 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.798 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.67 51.21 7.98 Favored 'General case' 0 N--CA 1.379 -3.995 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.829 -178.864 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.676 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.01 3.82 0.01 OUTLIER 'General case' 0 N--CA 1.388 -3.552 0 C-N-CA 117.796 -1.561 . . . . 0.0 110.333 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.838 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.34 18.6 m-85 -145.11 -38.27 0.27 Allowed 'General case' 0 CA--C 1.447 -3.0 0 CA-C-O 125.031 2.348 . . . . 0.0 109.537 -176.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.786 HD11 ' H ' ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -91.86 -33.4 5.58 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.403 0 CA-C-N 108.68 -3.873 . . . . 0.0 105.702 -176.895 . . . . . . . . 5 4 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.798 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.46 -4.06 11.82 Favored 'General case' 1 N--CA 1.354 -5.236 1 CA-C-N 106.325 -4.943 . . . . 0.0 112.623 -167.669 . . . . . . . . 6 4 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.587 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.1 pt20 -44.56 -33.25 1.7 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.409 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 15' ' ' ARG . 10.8 ptm85 -74.25 -20.83 60.02 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.051 -175.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -115.59 -53.47 2.59 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--O 1.262 1.718 0 CA-C-N 114.198 -1.364 . . . . 0.0 109.159 179.25 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 . . . . . 0 N--CA 1.411 -2.419 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -45.85 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.245 -177.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 7' ' ' PHE . 4.9 p . . . . . 0 C--N 1.349 0.556 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.982 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.83 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.443 0.8 OUTLIER . . . . . 0 CA--C 1.441 -3.244 0 CA-C-O 126.993 3.282 . . . . 0.0 117.8 . . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.356 31.5 m-85 85.32 134.74 0.05 OUTLIER 'General case' 1 N--CA 1.36 -4.936 1 CA-C-N 104.378 -5.828 . . . . 0.0 114.594 176.46 . . . . . . . . 5 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.774 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.53 51.32 8.11 Favored 'General case' 0 N--CA 1.38 -3.926 1 CA-C-N 105.614 -5.267 . . . . 0.0 107.658 -178.844 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.3 tt0 -171.88 4.89 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.681 0 C-N-CA 117.806 -1.558 . . . . 0.0 110.121 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.83 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 19.6 m-85 -146.63 -38.05 0.22 Allowed 'General case' 0 CA--C 1.45 -2.871 0 CA-C-O 125.279 2.466 . . . . 0.0 109.682 -176.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.783 HD11 ' H ' ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.26 -31.87 4.92 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.255 0 CA-C-N 108.725 -3.852 . . . . 0.0 105.852 -176.664 . . . . . . . . 5 4 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.774 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -116.42 -7.67 11.67 Favored 'General case' 1 N--CA 1.354 -5.255 1 CA-C-N 106.713 -4.767 . . . . 0.0 112.713 -167.594 . . . . . . . . 6 4 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.3 pt20 -47.05 -32.43 4.03 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.112 -1.403 . . . . 0.0 112.805 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -90.67 -17.89 26.02 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -103.48 -33.95 8.87 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.679 0 CA-C-N 112.165 -2.289 . . . . 0.0 108.115 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 . . . . . 0 N--CA 1.411 -2.377 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.606 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.57 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.281 0 CA-C-N 110.913 -2.858 . . . . 0.0 109.091 -177.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.2 p . . . . . 0 C--N 1.35 0.626 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.648 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.842 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER . . . . . 0 CA--C 1.44 -3.278 0 CA-C-O 127.11 3.338 . . . . 0.0 117.738 . . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.754 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.1 m-85 84.94 135.03 0.05 Allowed 'General case' 1 N--CA 1.357 -5.075 1 CA-C-N 104.141 -5.936 . . . . 0.0 114.386 176.603 . . . . . . . . 5 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.786 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.97 51.23 7.43 Favored 'General case' 1 N--CA 1.378 -4.025 1 CA-C-N 105.679 -5.237 . . . . 0.0 107.692 -179.112 . . . . . . . . 5 4 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.679 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.34 4.46 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.698 0 C-N-CA 117.772 -1.571 . . . . 0.0 110.348 -175.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.842 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 16.5 m-85 -146.04 -37.82 0.25 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.234 2.445 . . . . 0.0 109.58 -176.526 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.33 -33.11 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.371 0 CA-C-N 108.785 -3.825 . . . . 0.0 105.762 -176.715 . . . . . . . . 5 4 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.43 -7.52 12.28 Favored 'General case' 1 N--CA 1.354 -5.251 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.614 -167.711 . . . . . . . . 6 4 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -44.36 -33.82 1.77 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.525 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -76.14 -22.43 55.46 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.334 -175.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -111.96 -38.61 4.75 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm . . . . . 0 C--O 1.262 1.75 0 CA-C-N 114.275 -1.329 . . . . 0.0 107.915 -179.319 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.9 mmt -113.66 119.28 36.91 Favored 'General case' 0 CA--C 1.47 -2.128 0 CA-C-O 122.532 1.158 . . . . 0.0 108.413 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -102.22 -36.43 8.51 Favored 'General case' 0 N--CA 1.408 -2.529 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -43.94 99.08 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.403 0 CA-C-N 111.526 -2.579 . . . . 0.0 109.613 -177.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.548 ' C ' ' H ' ' A' ' 7' ' ' PHE . 3.7 p -99.7 -81.03 0.46 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.861 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.824 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.446 0.8 OUTLIER -55.37 141.7 35.14 Favored 'General case' 0 CA--C 1.439 -3.306 0 CA-C-O 127.099 3.333 . . . . 0.0 117.744 -170.803 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.5 m-85 84.62 135.16 0.05 Allowed 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 104.188 -5.914 . . . . 0.0 114.391 176.575 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.777 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.76 51.35 7.69 Favored 'General case' 1 N--CA 1.378 -4.042 1 CA-C-N 105.666 -5.243 . . . . 0.0 107.815 -178.902 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.0 tt0 -172.22 4.47 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.673 0 C-N-CA 117.756 -1.578 . . . . 0.0 110.238 -175.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.824 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 20.7 m-85 -146.55 -37.09 0.24 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.178 2.418 . . . . 0.0 109.668 -176.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.85 -32.45 4.98 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.338 0 CA-C-N 109.009 -3.723 . . . . 0.0 105.631 -176.834 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.777 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.46 -5.12 12.26 Favored 'General case' 1 N--CA 1.355 -5.219 1 CA-C-N 106.321 -4.945 . . . . 0.0 112.521 -167.817 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.576 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.2 pt20 -49.53 -32.72 12.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.711 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -85.05 -19.28 32.2 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.603 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -98.74 -32.48 11.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.262 1.743 0 CA-C-N 112.603 -2.09 . . . . 0.0 108.019 179.363 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.913 0.387 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 mmt -104.34 120.66 41.7 Favored 'General case' 0 CA--C 1.468 -2.204 0 CA-C-O 122.599 1.19 . . . . 0.0 108.491 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -95.11 -38.97 10.36 Favored 'General case' 0 N--CA 1.407 -2.585 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.596 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -38.25 98.32 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.209 0 CA-C-N 111.181 -2.736 . . . . 0.0 109.936 -178.287 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.554 ' C ' ' H ' ' A' ' 7' ' ' PHE . 23.0 t -94.24 -81.5 0.38 Allowed 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.286 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.836 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.437 0.8 OUTLIER -55.3 141.67 34.83 Favored 'General case' 0 CA--C 1.438 -3.343 0 CA-C-O 127.169 3.366 . . . . 0.0 117.772 -170.829 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 29.9 m-85 84.84 135.15 0.05 Allowed 'General case' 1 N--CA 1.358 -5.065 1 CA-C-N 104.207 -5.906 . . . . 0.0 114.356 176.551 . . . . . . . . 5 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.779 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.75 51.49 7.58 Favored 'General case' 1 N--CA 1.378 -4.048 1 CA-C-N 105.671 -5.24 . . . . 0.0 107.688 -178.993 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.2 tt0 -172.41 4.29 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.672 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.296 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.836 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.346 18.0 m-85 -146.19 -37.45 0.24 Allowed 'General case' 0 CA--C 1.45 -2.884 0 CA-C-O 125.154 2.407 . . . . 0.0 109.608 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.6 OUTLIER -92.53 -32.78 5.14 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.349 0 CA-C-N 108.854 -3.794 . . . . 0.0 105.77 -176.859 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.779 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.6 -6.87 12.21 Favored 'General case' 1 N--CA 1.354 -5.229 1 CA-C-N 106.364 -4.926 . . . . 0.0 112.639 -167.672 . . . . . . . . 6 4 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.72 -33.31 2.92 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.288 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.82 -23.01 58.39 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.181 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -111.35 -44.38 3.55 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt . . . . . 0 C--O 1.263 1.765 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.075 -179.184 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mmm -129.89 162.45 28.55 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 172.74 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 103.242 -2.873 . . . . 0.0 103.242 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -47.21 93.95 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.175 0 CA-C-N 110.943 -2.844 . . . . 0.0 110.283 -177.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -113.74 138.66 49.94 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.852 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER -56.33 140.99 43.42 Favored 'General case' 0 CA--C 1.436 -3.414 0 CA-C-O 126.655 3.121 . . . . 0.0 116.234 -172.591 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 29.1 m-85 86.2 134.85 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.869 -5.605 . . . . 0.0 113.926 176.828 . . . . . . . . 5 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.79 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.1 50.24 8.37 Favored 'General case' 1 N--CA 1.377 -4.087 1 CA-C-N 105.77 -5.196 . . . . 0.0 107.607 -178.735 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.683 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -170.33 4.73 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.667 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.242 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.852 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.348 13.7 m-85 -147.2 -38.73 0.2 Allowed 'General case' 0 CA--C 1.448 -2.956 0 CA-C-O 125.3 2.476 . . . . 0.0 109.8 -176.25 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.77 ' H ' HD12 ' A' ' 12' ' ' ILE 0.261 0.6 OUTLIER -91.21 -32.87 5.43 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.418 0 CA-C-N 108.646 -3.888 . . . . 0.0 105.659 -176.685 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.79 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -116.45 -7.23 11.7 Favored 'General case' 1 N--CA 1.353 -5.307 1 CA-C-N 106.387 -4.915 . . . . 0.0 112.601 -167.703 . . . . . . . . 6 4 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.569 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.6 pt20 -42.99 -34.74 1.04 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.344 -1.298 . . . . 0.0 112.746 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -73.47 -20.72 60.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.037 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -115.13 -53.81 2.6 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.263 1.796 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.098 179.467 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.052 0.453 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.9 mtt -134.21 162.43 32.18 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 173.0 -37.12 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.593 HD23 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -49.51 98.05 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 111.019 -2.81 . . . . 0.0 108.986 -177.631 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 73.3 m -93.87 -80.42 0.39 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.579 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.837 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.442 0.8 OUTLIER -55.11 141.73 33.5 Favored 'General case' 0 CA--C 1.439 -3.315 0 CA-C-O 127.04 3.305 . . . . 0.0 117.912 -170.878 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.756 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.5 135.1 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.175 -5.92 . . . . 0.0 114.282 176.603 . . . . . . . . 5 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.793 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.92 51.33 7.43 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.715 -179.04 . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.68 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.09 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.773 -1.571 . . . . 0.0 110.248 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.837 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 18.7 m-85 -145.47 -37.97 0.26 Allowed 'General case' 0 CA--C 1.447 -2.997 0 CA-C-O 125.052 2.358 . . . . 0.0 109.547 -176.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.779 HD11 ' H ' ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.36 -33.21 5.36 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.442 0 CA-C-N 108.829 -3.805 . . . . 0.0 105.778 -176.68 . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.793 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.12 -4.98 11.91 Favored 'General case' 1 N--CA 1.355 -5.18 1 CA-C-N 106.381 -4.918 . . . . 0.0 112.647 -167.594 . . . . . . . . 6 4 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.5 pt20 -46.33 -32.79 3.36 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.304 -1.316 . . . . 0.0 112.361 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -84.56 -19.32 33.33 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.071 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.97 -38.96 6.77 Favored 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--O 1.263 1.769 0 CA-C-N 112.428 -2.169 . . . . 0.0 107.981 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.124 0.487 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 96.6 mmm -99.37 105.37 17.33 Favored 'General case' 0 CA--C 1.466 -2.267 0 CA-C-O 122.287 1.041 . . . . 0.0 108.308 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -75.26 -41.99 56.1 Favored 'General case' 0 N--CA 1.404 -2.732 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.606 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -32.48 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 111.257 -2.701 . . . . 0.0 111.037 -177.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -118.08 133.42 55.92 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.861 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER -55.42 140.75 38.99 Favored 'General case' 0 CA--C 1.436 -3.409 0 CA-C-O 126.722 3.153 . . . . 0.0 116.176 -172.601 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.744 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.342 30.4 m-85 85.95 134.36 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.265 1 CA-C-N 104.745 -5.662 . . . . 0.0 113.751 176.818 . . . . . . . . 5 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.773 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.91 50.6 6.67 Favored 'General case' 1 N--CA 1.376 -4.159 1 CA-C-N 105.796 -5.184 . . . . 0.0 107.575 -179.108 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.681 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.6 tt0 -171.29 4.59 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.595 0 C-N-CA 117.835 -1.546 . . . . 0.0 110.141 -175.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.861 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.336 12.8 m-85 -145.41 -39.66 0.24 Allowed 'General case' 0 CA--C 1.449 -2.933 0 CA-C-O 125.224 2.44 . . . . 0.0 109.583 -176.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.769 HD11 ' H ' ' A' ' 12' ' ' ILE 0.268 0.6 OUTLIER -92.41 -33.63 5.6 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.473 0 CA-C-N 108.575 -3.92 . . . . 0.0 106.74 -175.512 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.773 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.411 0.0 OUTLIER -114.42 -10.92 12.56 Favored 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 106.658 -4.792 . . . . 0.0 113.496 -166.825 . . . . . . . . 6 4 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.584 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.6 pt20 -48.67 -31.8 7.34 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.503 -1.226 . . . . 0.0 112.174 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 9.1 ptm180 -75.39 -21.49 58.22 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.341 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -114.39 -44.15 3.13 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.381 -1.341 . . . . 0.0 107.381 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.701 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.229 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -134.02 162.47 31.99 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 173.34 -37.27 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.345 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.599 HD21 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.33 98.31 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 111.053 -2.794 . . . . 0.0 109.181 -177.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.548 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.3 p -91.45 -84.44 0.26 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.068 -1.424 . . . . 0.0 111.529 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.84 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER -55.09 141.5 34.28 Favored 'General case' 0 CA--C 1.439 -3.297 0 CA-C-O 127.027 3.298 . . . . 0.0 117.81 -170.86 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.1 m-85 84.77 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.092 1 CA-C-N 104.222 -5.899 . . . . 0.0 114.397 176.64 . . . . . . . . 5 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.79 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.31 7.39 Favored 'General case' 1 N--CA 1.379 -4.012 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.717 -179.009 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.681 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.34 4.39 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.604 0 C-N-CA 117.768 -1.573 . . . . 0.0 110.264 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.84 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.3 m-85 -146.08 -37.65 0.25 Allowed 'General case' 0 CA--C 1.449 -2.94 0 CA-C-O 125.202 2.429 . . . . 0.0 109.62 -176.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.778 HD13 ' H ' ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.52 -33.11 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.322 0 CA-C-N 108.796 -3.82 . . . . 0.0 105.758 -176.7 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.79 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.414 0.0 OUTLIER -115.38 -7.05 12.33 Favored 'General case' 1 N--CA 1.355 -5.223 1 CA-C-N 106.337 -4.938 . . . . 0.0 112.604 -167.691 . . . . . . . . 6 4 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.577 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.17 -33.25 2.18 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.378 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.58 -22.73 56.71 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.255 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -111.71 -39.43 4.59 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.262 1.73 0 CA-C-N 114.198 -1.365 . . . . 0.0 107.982 -179.342 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.773 0.321 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.8 mmm -129.16 161.92 28.97 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 172.38 -36.56 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.601 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.1 mt -49.94 98.18 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.419 0 CA-C-N 111.027 -2.806 . . . . 0.0 109.079 -177.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 7' ' ' PHE . 23.2 t -92.86 -82.28 0.33 Allowed 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.326 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.84 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER -55.28 141.78 34.32 Favored 'General case' 0 CA--C 1.44 -3.282 0 CA-C-O 127.129 3.347 . . . . 0.0 117.748 -170.776 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.756 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.49 135.08 0.05 Allowed 'General case' 1 N--CA 1.357 -5.089 1 CA-C-N 104.12 -5.946 . . . . 0.0 114.313 176.64 . . . . . . . . 5 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.792 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.42 7.3 Favored 'General case' 1 N--CA 1.377 -4.102 1 CA-C-N 105.644 -5.253 . . . . 0.0 107.756 -179.06 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.681 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.38 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.812 -1.555 . . . . 0.0 110.283 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.84 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 18.8 m-85 -145.34 -37.77 0.27 Allowed 'General case' 0 CA--C 1.448 -2.979 0 CA-C-O 125.057 2.361 . . . . 0.0 109.61 -176.365 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.777 HD13 ' H ' ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.5 -33.22 5.34 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.408 0 CA-C-N 108.77 -3.832 . . . . 0.0 105.757 -176.806 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -115.88 -4.15 12.11 Favored 'General case' 1 N--CA 1.355 -5.224 1 CA-C-N 106.336 -4.938 . . . . 0.0 112.658 -167.639 . . . . . . . . 6 4 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.589 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.4 pt20 -47.76 -31.92 5.37 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.106 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 11.6 ptm180 -83.0 -19.2 37.45 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.88 -175.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -105.46 -39.86 5.99 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.925 -179.502 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.883 0.373 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.8 mtp -103.73 106.6 17.15 Favored 'General case' 0 CA--C 1.465 -2.323 0 CA-C-O 122.394 1.092 . . . . 0.0 108.508 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -74.99 -41.73 58.92 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.604 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.1 mt -35.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 111.321 -2.672 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 7' ' ' PHE . 74.7 m -94.38 -80.33 0.4 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.501 -177.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.832 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.436 0.8 OUTLIER -55.06 141.73 33.25 Favored 'General case' 0 CA--C 1.439 -3.313 0 CA-C-O 127.082 3.325 . . . . 0.0 117.862 -170.877 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.4 m-85 84.64 135.06 0.05 Allowed 'General case' 1 N--CA 1.357 -5.088 1 CA-C-N 104.189 -5.914 . . . . 0.0 114.422 176.621 . . . . . . . . 5 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.782 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.91 51.11 7.65 Favored 'General case' 1 N--CA 1.379 -4.017 1 CA-C-N 105.692 -5.231 . . . . 0.0 107.669 -179.016 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.684 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.14 4.64 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.662 0 C-N-CA 117.794 -1.562 . . . . 0.0 110.28 -175.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 17.8 m-85 -146.05 -38.1 0.24 Allowed 'General case' 0 CA--C 1.45 -2.875 0 CA-C-O 125.227 2.441 . . . . 0.0 109.462 -176.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.16 -32.96 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.336 0 CA-C-N 108.722 -3.854 . . . . 0.0 105.825 -176.671 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.782 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.52 -7.05 12.25 Favored 'General case' 1 N--CA 1.355 -5.189 1 CA-C-N 106.448 -4.887 . . . . 0.0 112.725 -167.63 . . . . . . . . 6 4 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -46.75 -33.11 4.09 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.362 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -83.51 -18.33 38.83 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.065 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -105.83 -38.9 6.21 Favored 'General case' 0 CA--C 1.473 -2.004 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt . . . . . 0 C--O 1.262 1.728 0 CA-C-N 112.468 -2.151 . . . . 0.0 107.968 -179.671 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.898 0.38 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.0 mtp -109.01 123.78 49.67 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 122.677 1.227 . . . . 0.0 108.513 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -95.69 -39.71 9.75 Favored 'General case' 0 N--CA 1.407 -2.583 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.595 HD21 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -35.75 99.23 0.02 OUTLIER 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 111.095 -2.775 . . . . 0.0 110.123 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.0 p -93.63 -83.85 0.32 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.324 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.829 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER -54.77 141.46 32.6 Favored 'General case' 0 CA--C 1.439 -3.321 0 CA-C-O 127.14 3.353 . . . . 0.0 117.75 -170.82 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.5 m-85 84.63 134.87 0.05 Allowed 'General case' 1 N--CA 1.356 -5.125 1 CA-C-N 104.187 -5.915 . . . . 0.0 114.372 176.547 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.78 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.41 51.2 6.83 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.645 -5.252 . . . . 0.0 107.824 -179.067 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.683 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.2 tt0 -172.5 4.14 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.649 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.294 -175.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.829 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 17.0 m-85 -144.96 -38.29 0.27 Allowed 'General case' 0 CA--C 1.449 -2.919 0 CA-C-O 125.077 2.37 . . . . 0.0 109.487 -176.336 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.764 HD11 ' H ' ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.9 -33.46 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.344 0 CA-C-N 108.695 -3.866 . . . . 0.0 106.303 -176.251 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.78 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.99 -5.76 12.52 Favored 'General case' 1 N--CA 1.356 -5.131 1 CA-C-N 106.424 -4.898 . . . . 0.0 113.053 -167.14 . . . . . . . . 6 4 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.597 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.6 pt20 -51.4 -30.02 17.72 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.78 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -85.59 -19.3 31.26 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.936 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.5 -36.24 8.04 Favored 'General case' 0 CA--C 1.471 -2.095 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.261 1.69 0 CA-C-N 112.164 -2.289 . . . . 0.0 108.185 -179.353 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.8 mtt -134.06 162.46 32.03 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 171.22 -35.62 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.325 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.59 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -50.02 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 111.025 -2.807 . . . . 0.0 109.802 -177.199 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t -116.21 133.44 56.02 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.424 0.5 OUTLIER -55.38 140.77 38.7 Favored 'General case' 0 CA--C 1.436 -3.433 0 CA-C-O 126.679 3.133 . . . . 0.0 116.233 -172.595 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 30.4 m-85 85.99 134.47 0.05 OUTLIER 'General case' 1 N--CA 1.355 -5.202 1 CA-C-N 104.782 -5.645 . . . . 0.0 113.745 176.769 . . . . . . . . 5 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.78 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.58 50.72 7.05 Favored 'General case' 1 N--CA 1.376 -4.152 1 CA-C-N 105.742 -5.208 . . . . 0.0 107.583 -179.003 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.682 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.0 tt0 -171.16 4.59 0.02 OUTLIER 'General case' 0 N--CA 1.387 -3.599 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.167 -175.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.867 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 14.3 m-85 -145.72 -39.83 0.23 Allowed 'General case' 0 CA--C 1.45 -2.887 0 CA-C-O 125.386 2.517 . . . . 0.0 109.496 -176.1 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.22 -32.97 5.26 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.441 0 CA-C-N 108.488 -3.96 . . . . 0.0 106.626 -175.524 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.78 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.14 -11.66 12.0 Favored 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 106.78 -4.736 . . . . 0.0 113.587 -166.825 . . . . . . . . 6 4 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.578 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.7 pt20 -47.98 -32.87 7.04 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.489 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 19.1 ptp180 -77.19 -21.64 53.62 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.356 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -110.89 -44.71 3.57 Favored 'General case' 0 CA--C 1.481 -1.691 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.261 1.707 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.061 -179.27 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.2 mmt -101.45 106.38 17.5 Favored 'General case' 0 CA--C 1.466 -2.283 0 CA-C-O 122.288 1.042 . . . . 0.0 108.533 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -76.36 -41.92 46.53 Favored 'General case' 0 N--CA 1.404 -2.741 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.2 mt -33.6 99.0 0.01 OUTLIER 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 111.252 -2.704 . . . . 0.0 110.331 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.5 p -92.88 -83.98 0.3 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.432 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.832 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER -54.79 141.53 32.43 Favored 'General case' 0 CA--C 1.439 -3.319 0 CA-C-O 127.103 3.335 . . . . 0.0 117.755 -170.887 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.752 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.6 m-85 84.65 134.9 0.05 Allowed 'General case' 1 N--CA 1.357 -5.12 1 CA-C-N 104.209 -5.905 . . . . 0.0 114.424 176.639 . . . . . . . . 5 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.774 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.23 51.32 6.99 Favored 'General case' 1 N--CA 1.378 -4.039 1 CA-C-N 105.682 -5.235 . . . . 0.0 107.69 -179.124 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.5 tt0 -172.65 4.8 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 117.69 -1.604 . . . . 0.0 110.208 -175.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 16.9 m-85 -146.03 -37.84 0.25 Allowed 'General case' 0 CA--C 1.45 -2.876 0 CA-C-O 125.234 2.445 . . . . 0.0 109.602 -176.541 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.97 -33.47 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.409 0 CA-C-N 108.802 -3.817 . . . . 0.0 106.097 -176.299 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.774 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.42 -8.03 12.84 Favored 'General case' 1 N--CA 1.356 -5.162 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.857 -167.367 . . . . . . . . 6 4 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.585 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.21 -31.45 5.81 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.018 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -75.81 -22.73 56.05 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.236 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -112.49 -45.31 3.26 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.262 1.717 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.146 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.134 0.492 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 39.2 mmt -95.07 105.15 17.05 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-O 122.34 1.066 . . . . 0.0 108.551 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -74.61 -41.77 59.84 Favored 'General case' 0 N--CA 1.403 -2.781 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.607 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.1 mt -35.23 98.59 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.279 -2.691 . . . . 0.0 110.252 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 7' ' ' PHE . 24.4 t -93.88 -82.51 0.35 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.273 -177.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.835 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER -55.03 141.67 33.3 Favored 'General case' 0 CA--C 1.437 -3.369 0 CA-C-O 127.101 3.334 . . . . 0.0 117.84 -170.963 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.4 m-85 84.56 135.12 0.05 Allowed 'General case' 1 N--CA 1.357 -5.112 1 CA-C-N 104.23 -5.895 . . . . 0.0 114.372 176.67 . . . . . . . . 5 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.779 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 51.2 7.38 Favored 'General case' 1 N--CA 1.378 -4.028 1 CA-C-N 105.685 -5.234 . . . . 0.0 107.701 -179.077 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.683 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.35 4.5 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.668 0 C-N-CA 117.837 -1.545 . . . . 0.0 110.305 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.835 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.4 m-85 -146.0 -37.79 0.25 Allowed 'General case' 0 CA--C 1.45 -2.904 0 CA-C-O 125.164 2.412 . . . . 0.0 109.533 -176.461 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.59 -33.23 5.33 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.42 0 CA-C-N 108.833 -3.803 . . . . 0.0 105.884 -176.632 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.779 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.02 -6.92 12.55 Favored 'General case' 1 N--CA 1.356 -5.164 1 CA-C-N 106.367 -4.924 . . . . 0.0 112.692 -167.615 . . . . . . . . 6 4 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.578 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.85 -31.95 3.42 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.208 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.87 -23.3 58.38 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.042 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -111.15 -45.69 3.4 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt . . . . . 0 C--O 1.262 1.716 0 CA-C-N 113.731 -1.577 . . . . 0.0 108.12 -179.403 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.043 0.449 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.8 mtp -133.42 162.5 31.68 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 171.58 -35.85 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.306 0 N-CA-C 103.236 -2.876 . . . . 0.0 103.236 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -49.42 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 111.011 -2.813 . . . . 0.0 109.836 -177.288 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -116.55 133.84 55.55 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.863 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.421 0.5 OUTLIER -55.64 140.87 39.8 Favored 'General case' 0 CA--C 1.435 -3.458 0 CA-C-O 126.756 3.169 . . . . 0.0 116.098 -172.614 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.34 29.6 m-85 85.82 134.51 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.254 1 CA-C-N 104.675 -5.693 . . . . 0.0 113.72 176.822 . . . . . . . . 5 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.79 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.63 50.77 6.91 Favored 'General case' 1 N--CA 1.375 -4.181 1 CA-C-N 105.718 -5.219 . . . . 0.0 107.632 -178.937 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.4 tt0 -171.07 4.07 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.665 0 C-N-CA 117.899 -1.52 . . . . 0.0 110.228 -175.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.863 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.345 14.1 m-85 -145.88 -38.7 0.24 Allowed 'General case' 0 CA--C 1.447 -2.991 0 CA-C-O 125.134 2.397 . . . . 0.0 109.699 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.35 -33.41 5.48 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.444 0 CA-C-N 108.677 -3.874 . . . . 0.0 106.082 -176.132 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.79 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.415 0.0 OUTLIER -115.52 -6.57 12.25 Favored 'General case' 1 N--CA 1.356 -5.135 1 CA-C-N 106.559 -4.837 . . . . 0.0 113.014 -167.214 . . . . . . . . 6 4 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.591 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.4 pt20 -47.44 -31.38 4.11 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.079 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.65 -23.59 58.69 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.988 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -111.04 -46.26 3.35 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt . . . . . 0 C--O 1.262 1.72 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.17 -179.212 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -129.65 161.78 29.81 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 173.09 -36.7 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.289 0 N-CA-C 103.223 -2.88 . . . . 0.0 103.223 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.611 HD21 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.72 98.75 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 CA-C-N 111.078 -2.783 . . . . 0.0 109.14 -177.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.5 p -90.25 -85.56 0.21 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.077 -1.419 . . . . 0.0 111.715 -177.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.833 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER -54.42 141.47 30.51 Favored 'General case' 0 CA--C 1.439 -3.315 0 CA-C-O 127.188 3.375 . . . . 0.0 117.68 -170.765 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.764 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.0 m-85 84.3 135.07 0.05 Allowed 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.007 -5.997 . . . . 0.0 114.332 176.712 . . . . . . . . 5 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.807 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 52.65 6.13 Favored 'General case' 1 N--CA 1.376 -4.148 1 CA-C-N 105.588 -5.278 . . . . 0.0 107.988 -178.956 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.678 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.9 tt0 -173.38 1.02 0.01 OUTLIER 'General case' 0 N--CA 1.389 -3.493 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.59 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.833 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.333 17.5 m-85 -141.02 -40.09 0.4 Allowed 'General case' 0 CA--C 1.449 -2.925 0 CA-C-O 125.496 2.569 . . . . 0.0 109.088 -175.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.5 OUTLIER -90.99 -33.32 5.72 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.497 1 CA-C-N 108.176 -4.102 . . . . 0.0 105.12 -177.492 . . . . . . . . 6 4 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.807 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.406 0.0 OUTLIER -118.79 59.75 0.82 Allowed 'General case' 1 N--CA 1.345 -5.715 1 CA-C-N 106.517 -4.856 . . . . 0.0 110.438 -168.271 . . . . . . . . 6 4 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.579 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -137.94 -32.7 0.73 Allowed 'General case' 0 C--N 1.283 -2.298 0 CA-C-N 113.489 -1.687 . . . . 0.0 108.687 -178.657 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -87.65 -19.94 27.01 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.287 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -102.7 -28.61 12.01 Favored 'General case' 0 CA--C 1.473 -1.987 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.703 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.241 -179.487 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.6 mtp -133.52 162.34 32.14 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 173.07 -36.77 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.59 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.77 97.75 0.01 OUTLIER 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 111.117 -2.765 . . . . 0.0 108.855 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 7' ' ' PHE . 73.3 m -93.47 -80.56 0.38 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.597 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.841 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER -55.06 141.63 33.62 Favored 'General case' 0 CA--C 1.438 -3.335 0 CA-C-O 127.103 3.335 . . . . 0.0 117.81 -170.886 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.62 134.91 0.05 Allowed 'General case' 1 N--CA 1.357 -5.106 1 CA-C-N 104.159 -5.928 . . . . 0.0 114.332 176.663 . . . . . . . . 5 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.27 51.21 7.03 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 105.675 -5.239 . . . . 0.0 107.754 -179.154 . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.682 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.46 4.78 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.758 -1.577 . . . . 0.0 110.246 -175.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.841 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.9 m-85 -146.16 -37.79 0.24 Allowed 'General case' 0 CA--C 1.45 -2.901 0 CA-C-O 125.207 2.432 . . . . 0.0 109.604 -176.541 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.777 HD11 ' H ' ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.89 -33.07 5.17 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.319 0 CA-C-N 108.815 -3.811 . . . . 0.0 106.078 -176.439 . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.787 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -114.92 -8.29 12.53 Favored 'General case' 1 N--CA 1.356 -5.168 1 CA-C-N 106.441 -4.891 . . . . 0.0 112.724 -167.472 . . . . . . . . 6 4 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.94 -31.7 3.33 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.329 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -78.31 -20.84 50.66 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.565 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -114.99 -38.84 3.79 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.672 0 CA-C-N 113.927 -1.488 . . . . 0.0 108.096 -179.194 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.122 0.487 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptm -156.57 166.65 32.8 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 122.344 1.068 . . . . 0.0 108.393 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 168.91 -37.09 0.0 OUTLIER 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 103.131 -2.915 . . . . 0.0 103.131 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.73 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.341 0 CA-C-N 111.027 -2.806 . . . . 0.0 108.906 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 7' ' ' PHE . 22.9 t -91.59 -83.34 0.28 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.379 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.835 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER -55.06 141.57 33.87 Favored 'General case' 0 CA--C 1.439 -3.312 0 CA-C-O 127.054 3.311 . . . . 0.0 117.767 -170.863 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.2 m-85 84.75 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 104.134 -5.939 . . . . 0.0 114.382 176.626 . . . . . . . . 5 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.78 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.87 51.36 7.5 Favored 'General case' 1 N--CA 1.378 -4.073 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.683 -179.045 . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.681 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.41 4.41 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.634 0 C-N-CA 117.839 -1.544 . . . . 0.0 110.332 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.835 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 17.8 m-85 -146.01 -37.62 0.25 Allowed 'General case' 0 CA--C 1.449 -2.906 0 CA-C-O 125.167 2.413 . . . . 0.0 109.619 -176.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.767 HD11 ' H ' ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.56 -33.14 5.29 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.378 0 CA-C-N 108.792 -3.822 . . . . 0.0 105.823 -176.789 . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.78 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.07 -5.78 12.48 Favored 'General case' 1 N--CA 1.355 -5.203 1 CA-C-N 106.375 -4.92 . . . . 0.0 112.712 -167.624 . . . . . . . . 6 4 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.1 pt20 -48.99 -31.94 8.31 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 11.1 ptm180 -85.12 -19.08 32.38 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.689 -175.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -100.97 -36.46 9.02 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 113.007 -1.906 . . . . 0.0 108.202 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.805 0.336 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.7 mtp -105.15 107.6 18.67 Favored 'General case' 0 CA--C 1.465 -2.323 0 CA-C-O 122.268 1.033 . . . . 0.0 108.57 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -74.78 -42.06 58.85 Favored 'General case' 0 N--CA 1.404 -2.75 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.603 HD21 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -33.57 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 111.291 -2.686 . . . . 0.0 110.385 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.4 p -93.16 -84.02 0.3 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.38 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.832 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.436 0.8 OUTLIER -54.95 141.62 33.02 Favored 'General case' 0 CA--C 1.439 -3.319 0 CA-C-O 127.098 3.333 . . . . 0.0 117.713 -170.796 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.69 134.85 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.158 -5.928 . . . . 0.0 114.366 176.623 . . . . . . . . 5 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.774 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.35 50.99 7.09 Favored 'General case' 1 N--CA 1.378 -4.061 1 CA-C-N 105.705 -5.225 . . . . 0.0 107.743 -179.196 . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.682 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.6 tt0 -172.42 4.95 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.701 -1.6 . . . . 0.0 110.22 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.5 m-85 -146.09 -37.78 0.24 Allowed 'General case' 0 CA--C 1.45 -2.895 0 CA-C-O 125.302 2.477 . . . . 0.0 109.598 -176.552 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -93.07 -33.38 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.388 0 CA-C-N 108.847 -3.797 . . . . 0.0 106.182 -176.3 . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.774 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.3 -8.51 12.89 Favored 'General case' 1 N--CA 1.356 -5.128 1 CA-C-N 106.447 -4.888 . . . . 0.0 112.819 -167.435 . . . . . . . . 6 4 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.587 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.23 -30.76 5.04 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.005 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -76.71 -21.03 55.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.508 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -117.11 -40.96 3.05 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.262 1.722 0 CA-C-N 113.847 -1.524 . . . . 0.0 108.231 -179.066 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.075 0.464 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mmm -129.53 162.09 28.98 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 173.53 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.606 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -48.35 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 111.037 -2.801 . . . . 0.0 109.215 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.546 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.0 p -92.2 -84.33 0.28 Allowed 'General case' 0 C--N 1.351 0.645 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.498 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.838 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.441 0.8 OUTLIER -55.13 141.48 34.58 Favored 'General case' 0 CA--C 1.439 -3.309 0 CA-C-O 127.101 3.334 . . . . 0.0 117.78 -170.873 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.757 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.353 30.0 m-85 84.8 135.32 0.05 Allowed 'General case' 1 N--CA 1.357 -5.117 1 CA-C-N 104.208 -5.905 . . . . 0.0 114.425 176.594 . . . . . . . . 5 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.798 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.67 51.21 7.98 Favored 'General case' 0 N--CA 1.379 -3.995 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.829 -178.864 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.676 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.01 3.82 0.01 OUTLIER 'General case' 0 N--CA 1.388 -3.552 0 C-N-CA 117.796 -1.561 . . . . 0.0 110.333 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.838 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.34 18.6 m-85 -145.11 -38.27 0.27 Allowed 'General case' 0 CA--C 1.447 -3.0 0 CA-C-O 125.031 2.348 . . . . 0.0 109.537 -176.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.786 HD11 ' H ' ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -91.86 -33.4 5.58 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.403 0 CA-C-N 108.68 -3.873 . . . . 0.0 105.702 -176.895 . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.798 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.46 -4.06 11.82 Favored 'General case' 1 N--CA 1.354 -5.236 1 CA-C-N 106.325 -4.943 . . . . 0.0 112.623 -167.669 . . . . . . . . 6 4 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.587 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.1 pt20 -44.56 -33.25 1.7 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.409 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 15' ' ' ARG . 10.8 ptm85 -74.25 -20.83 60.02 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.051 -175.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -115.59 -53.47 2.59 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--O 1.262 1.718 0 CA-C-N 114.198 -1.364 . . . . 0.0 109.159 179.25 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.1 mtm -123.84 125.38 44.56 Favored 'General case' 0 CA--C 1.468 -2.177 0 CA-C-O 122.685 1.231 . . . . 0.0 108.166 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -103.6 -34.34 8.68 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -45.85 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.245 -177.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 7' ' ' PHE . 4.9 p -100.56 -80.13 0.49 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.982 -177.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.83 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.443 0.8 OUTLIER -54.87 141.2 34.19 Favored 'General case' 0 CA--C 1.441 -3.244 0 CA-C-O 126.993 3.282 . . . . 0.0 117.8 -170.808 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.356 31.5 m-85 85.32 134.74 0.05 OUTLIER 'General case' 1 N--CA 1.36 -4.936 1 CA-C-N 104.378 -5.828 . . . . 0.0 114.594 176.46 . . . . . . . . 5 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.774 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.53 51.32 8.11 Favored 'General case' 0 N--CA 1.38 -3.926 1 CA-C-N 105.614 -5.267 . . . . 0.0 107.658 -178.844 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.3 tt0 -171.88 4.89 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.681 0 C-N-CA 117.806 -1.558 . . . . 0.0 110.121 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.83 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 19.6 m-85 -146.63 -38.05 0.22 Allowed 'General case' 0 CA--C 1.45 -2.871 0 CA-C-O 125.279 2.466 . . . . 0.0 109.682 -176.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.783 HD11 ' H ' ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.26 -31.87 4.92 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.255 0 CA-C-N 108.725 -3.852 . . . . 0.0 105.852 -176.664 . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.774 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -116.42 -7.67 11.67 Favored 'General case' 1 N--CA 1.354 -5.255 1 CA-C-N 106.713 -4.767 . . . . 0.0 112.713 -167.594 . . . . . . . . 6 4 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.3 pt20 -47.05 -32.43 4.03 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.112 -1.403 . . . . 0.0 112.805 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -90.67 -17.89 26.02 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -103.48 -33.95 8.87 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.679 0 CA-C-N 112.165 -2.289 . . . . 0.0 108.115 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.007 0.432 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -130.05 162.13 29.44 Favored 'General case' 0 CA--C 1.48 -1.723 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 174.52 -37.77 0.01 OUTLIER 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.606 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.57 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.281 0 CA-C-N 110.913 -2.858 . . . . 0.0 109.091 -177.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.2 p -89.87 -85.32 0.21 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.648 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.842 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER -55.14 141.52 34.51 Favored 'General case' 0 CA--C 1.44 -3.278 0 CA-C-O 127.11 3.338 . . . . 0.0 117.738 -170.778 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.754 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.1 m-85 84.94 135.03 0.05 Allowed 'General case' 1 N--CA 1.357 -5.075 1 CA-C-N 104.141 -5.936 . . . . 0.0 114.386 176.603 . . . . . . . . 5 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.786 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.97 51.23 7.43 Favored 'General case' 1 N--CA 1.378 -4.025 1 CA-C-N 105.679 -5.237 . . . . 0.0 107.692 -179.112 . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.679 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.34 4.46 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.698 0 C-N-CA 117.772 -1.571 . . . . 0.0 110.348 -175.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.842 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 16.5 m-85 -146.04 -37.82 0.25 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.234 2.445 . . . . 0.0 109.58 -176.526 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.33 -33.11 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.371 0 CA-C-N 108.785 -3.825 . . . . 0.0 105.762 -176.715 . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.43 -7.52 12.28 Favored 'General case' 1 N--CA 1.354 -5.251 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.614 -167.711 . . . . . . . . 6 4 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -44.36 -33.82 1.77 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.525 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -76.14 -22.43 55.46 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.334 -175.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -111.96 -38.61 4.75 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm . . . . . 0 C--O 1.262 1.75 0 CA-C-N 114.275 -1.329 . . . . 0.0 107.915 -179.319 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 . . . . . 0 N--CA 1.408 -2.529 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.838 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -43.94 99.08 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.403 0 CA-C-N 111.526 -2.579 . . . . 0.0 109.613 -177.222 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.861 -177.698 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.853 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.446 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.306 0 CA-C-O 127.099 3.333 . . . . 0.0 117.744 . . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.5 m-85 84.62 135.16 0.05 Allowed 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 104.188 -5.914 . . . . 0.0 114.391 176.575 . . . . . . . . 5 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.785 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.76 51.35 7.69 Favored 'General case' 1 N--CA 1.378 -4.042 1 CA-C-N 105.666 -5.243 . . . . 0.0 107.815 -178.902 . . . . . . . . 5 4 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.664 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.0 tt0 -172.22 4.47 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.673 0 C-N-CA 117.756 -1.578 . . . . 0.0 110.238 -175.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.853 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 20.7 m-85 -146.55 -37.09 0.24 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.178 2.418 . . . . 0.0 109.668 -176.482 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.946 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.85 -32.45 4.98 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.338 0 CA-C-N 109.009 -3.723 . . . . 0.0 105.631 -176.834 . . . . . . . . 5 4 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.788 HD22 ' HB ' ' A' ' 12' ' ' ILE 0.413 0.0 OUTLIER -115.46 -5.12 12.26 Favored 'General case' 1 N--CA 1.355 -5.219 1 CA-C-N 106.321 -4.945 . . . . 0.0 112.521 -167.817 . . . . . . . . 6 4 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.555 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.2 pt20 -49.53 -32.72 12.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.711 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -85.05 -19.28 32.2 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.603 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -98.74 -32.48 11.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.262 1.743 0 CA-C-N 112.603 -2.09 . . . . 0.0 108.019 179.363 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 N--CA 1.407 -2.585 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -38.25 98.32 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.209 0 CA-C-N 111.181 -2.736 . . . . 0.0 109.936 -178.287 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.352 0.675 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.286 -177.355 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.437 0.8 OUTLIER . . . . . 0 CA--C 1.438 -3.343 0 CA-C-O 127.169 3.366 . . . . 0.0 117.772 . . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 29.9 m-85 84.84 135.15 0.05 Allowed 'General case' 1 N--CA 1.358 -5.065 1 CA-C-N 104.207 -5.906 . . . . 0.0 114.356 176.551 . . . . . . . . 5 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.786 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.75 51.49 7.58 Favored 'General case' 1 N--CA 1.378 -4.048 1 CA-C-N 105.671 -5.24 . . . . 0.0 107.688 -178.993 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.2 tt0 -172.41 4.29 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.672 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.296 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.865 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.346 18.0 m-85 -146.19 -37.45 0.24 Allowed 'General case' 0 CA--C 1.45 -2.884 0 CA-C-O 125.154 2.407 . . . . 0.0 109.608 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.6 OUTLIER -92.53 -32.78 5.14 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.349 0 CA-C-N 108.854 -3.794 . . . . 0.0 105.77 -176.859 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.6 -6.87 12.21 Favored 'General case' 1 N--CA 1.354 -5.229 1 CA-C-N 106.364 -4.926 . . . . 0.0 112.639 -167.672 . . . . . . . . 6 4 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.553 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.72 -33.31 2.92 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.288 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.82 -23.01 58.39 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.181 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -111.35 -44.38 3.55 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt . . . . . 0 C--O 1.263 1.765 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.075 -179.184 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 . . . . . 0 N--CA 1.413 -2.291 0 N-CA-C 103.242 -2.873 . . . . 0.0 103.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.742 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -47.21 93.95 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.175 0 CA-C-N 110.943 -2.844 . . . . 0.0 110.283 -177.358 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 CA--C 1.509 -0.603 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.228 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.864 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.414 0 CA-C-O 126.655 3.121 . . . . 0.0 116.234 . . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.745 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 29.1 m-85 86.2 134.85 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.869 -5.605 . . . . 0.0 113.926 176.828 . . . . . . . . 5 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.799 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.1 50.24 8.37 Favored 'General case' 1 N--CA 1.377 -4.087 1 CA-C-N 105.77 -5.196 . . . . 0.0 107.607 -178.735 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -170.33 4.73 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.667 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.242 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.864 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.348 13.7 m-85 -147.2 -38.73 0.2 Allowed 'General case' 0 CA--C 1.448 -2.956 0 CA-C-O 125.3 2.476 . . . . 0.0 109.8 -176.25 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.93 ' H ' HD12 ' A' ' 12' ' ' ILE 0.261 0.6 OUTLIER -91.21 -32.87 5.43 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.418 0 CA-C-N 108.646 -3.888 . . . . 0.0 105.659 -176.685 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.799 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -116.45 -7.23 11.7 Favored 'General case' 1 N--CA 1.353 -5.307 1 CA-C-N 106.387 -4.915 . . . . 0.0 112.601 -167.703 . . . . . . . . 6 4 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.6 pt20 -42.99 -34.74 1.04 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.344 -1.298 . . . . 0.0 112.746 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -73.47 -20.72 60.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.037 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -115.13 -53.81 2.6 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.263 1.796 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.098 179.467 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 . . . . . 0 N--CA 1.413 -2.277 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -49.51 98.05 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 111.019 -2.81 . . . . 0.0 108.986 -177.631 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 C--N 1.35 0.592 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.579 -177.311 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.874 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.442 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.315 0 CA-C-O 127.04 3.305 . . . . 0.0 117.912 . . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.5 135.1 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.175 -5.92 . . . . 0.0 114.282 176.603 . . . . . . . . 5 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.803 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.92 51.33 7.43 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.715 -179.04 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.09 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.773 -1.571 . . . . 0.0 110.248 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 18.7 m-85 -145.47 -37.97 0.26 Allowed 'General case' 0 CA--C 1.447 -2.997 0 CA-C-O 125.052 2.358 . . . . 0.0 109.547 -176.333 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.36 -33.21 5.36 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.442 0 CA-C-N 108.829 -3.805 . . . . 0.0 105.778 -176.68 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.803 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.12 -4.98 11.91 Favored 'General case' 1 N--CA 1.355 -5.18 1 CA-C-N 106.381 -4.918 . . . . 0.0 112.647 -167.594 . . . . . . . . 6 4 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.566 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 4.9 pt20 -46.33 -32.79 3.36 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.304 -1.316 . . . . 0.0 112.361 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -84.56 -19.32 33.33 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.071 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.97 -38.96 6.77 Favored 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--O 1.263 1.769 0 CA-C-N 112.428 -2.169 . . . . 0.0 107.981 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.404 -2.732 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -32.48 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 111.257 -2.701 . . . . 0.0 111.037 -177.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.508 -0.672 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.882 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.409 0 CA-C-O 126.722 3.153 . . . . 0.0 116.176 . . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.739 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.342 30.4 m-85 85.95 134.36 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.265 1 CA-C-N 104.745 -5.662 . . . . 0.0 113.751 176.818 . . . . . . . . 5 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.81 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.91 50.6 6.67 Favored 'General case' 1 N--CA 1.376 -4.159 1 CA-C-N 105.796 -5.184 . . . . 0.0 107.575 -179.108 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.656 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.6 tt0 -171.29 4.59 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.595 0 C-N-CA 117.835 -1.546 . . . . 0.0 110.141 -175.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.882 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.336 12.8 m-85 -145.41 -39.66 0.24 Allowed 'General case' 0 CA--C 1.449 -2.933 0 CA-C-O 125.224 2.44 . . . . 0.0 109.583 -176.2 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.963 ' H ' HD12 ' A' ' 12' ' ' ILE 0.268 0.6 OUTLIER -92.41 -33.63 5.6 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.473 0 CA-C-N 108.575 -3.92 . . . . 0.0 106.74 -175.512 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.81 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.411 0.0 OUTLIER -114.42 -10.92 12.56 Favored 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 106.658 -4.792 . . . . 0.0 113.496 -166.825 . . . . . . . . 6 4 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.2 pt20 -48.67 -31.8 7.34 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.503 -1.226 . . . . 0.0 112.174 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 9.1 ptm180 -75.39 -21.49 58.22 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.341 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -114.39 -44.15 3.13 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.381 -1.341 . . . . 0.0 107.381 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.701 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.229 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 . . . . . 0 N--CA 1.412 -2.345 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.873 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.33 98.31 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 111.053 -2.794 . . . . 0.0 109.181 -177.601 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.068 -1.424 . . . . 0.0 111.529 -177.498 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.873 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.297 0 CA-C-O 127.027 3.298 . . . . 0.0 117.81 . . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.1 m-85 84.77 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.092 1 CA-C-N 104.222 -5.899 . . . . 0.0 114.397 176.64 . . . . . . . . 5 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.797 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.31 7.39 Favored 'General case' 1 N--CA 1.379 -4.012 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.717 -179.009 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.34 4.39 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.604 0 C-N-CA 117.768 -1.573 . . . . 0.0 110.264 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.3 m-85 -146.08 -37.65 0.25 Allowed 'General case' 0 CA--C 1.449 -2.94 0 CA-C-O 125.202 2.429 . . . . 0.0 109.62 -176.498 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.941 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.52 -33.11 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.322 0 CA-C-N 108.796 -3.82 . . . . 0.0 105.758 -176.7 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.797 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.414 0.0 OUTLIER -115.38 -7.05 12.33 Favored 'General case' 1 N--CA 1.355 -5.223 1 CA-C-N 106.337 -4.938 . . . . 0.0 112.604 -167.691 . . . . . . . . 6 4 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.558 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.17 -33.25 2.18 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.378 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.58 -22.73 56.71 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.255 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -111.71 -39.43 4.59 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.262 1.73 0 CA-C-N 114.198 -1.365 . . . . 0.0 107.982 -179.342 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 N--CA 1.413 -2.282 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.882 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.94 98.18 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.419 0 CA-C-N 111.027 -2.806 . . . . 0.0 109.079 -177.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.349 0.574 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.326 -177.619 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.882 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.44 -3.282 0 CA-C-O 127.129 3.347 . . . . 0.0 117.748 . . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.752 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.49 135.08 0.05 Allowed 'General case' 1 N--CA 1.357 -5.089 1 CA-C-N 104.12 -5.946 . . . . 0.0 114.313 176.64 . . . . . . . . 5 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.8 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.42 7.3 Favored 'General case' 1 N--CA 1.377 -4.102 1 CA-C-N 105.644 -5.253 . . . . 0.0 107.756 -179.06 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.38 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.812 -1.555 . . . . 0.0 110.283 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.859 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 18.8 m-85 -145.34 -37.77 0.27 Allowed 'General case' 0 CA--C 1.448 -2.979 0 CA-C-O 125.057 2.361 . . . . 0.0 109.61 -176.365 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.939 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.5 -33.22 5.34 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.408 0 CA-C-N 108.77 -3.832 . . . . 0.0 105.757 -176.806 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.8 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -115.88 -4.15 12.11 Favored 'General case' 1 N--CA 1.355 -5.224 1 CA-C-N 106.336 -4.938 . . . . 0.0 112.658 -167.639 . . . . . . . . 6 4 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 4.9 pt20 -47.76 -31.92 5.37 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.106 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -83.0 -19.2 37.45 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.88 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -105.46 -39.86 5.99 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.925 -179.502 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 . . . . . 0 N--CA 1.404 -2.725 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.875 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -35.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 111.321 -2.672 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.352 0.681 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.501 -177.322 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.875 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.313 0 CA-C-O 127.082 3.325 . . . . 0.0 117.862 . . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.75 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.4 m-85 84.64 135.06 0.05 Allowed 'General case' 1 N--CA 1.357 -5.088 1 CA-C-N 104.189 -5.914 . . . . 0.0 114.422 176.621 . . . . . . . . 5 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.791 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.91 51.11 7.65 Favored 'General case' 1 N--CA 1.379 -4.017 1 CA-C-N 105.692 -5.231 . . . . 0.0 107.669 -179.016 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.14 4.64 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.662 0 C-N-CA 117.794 -1.562 . . . . 0.0 110.28 -175.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 17.8 m-85 -146.05 -38.1 0.24 Allowed 'General case' 0 CA--C 1.45 -2.875 0 CA-C-O 125.227 2.441 . . . . 0.0 109.462 -176.538 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.947 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.16 -32.96 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.336 0 CA-C-N 108.722 -3.854 . . . . 0.0 105.825 -176.671 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.791 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.52 -7.05 12.25 Favored 'General case' 1 N--CA 1.355 -5.189 1 CA-C-N 106.448 -4.887 . . . . 0.0 112.725 -167.63 . . . . . . . . 6 4 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -46.75 -33.11 4.09 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.362 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -83.51 -18.33 38.83 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.065 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -105.83 -38.9 6.21 Favored 'General case' 0 CA--C 1.473 -2.004 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt . . . . . 0 C--O 1.262 1.728 0 CA-C-N 112.468 -2.151 . . . . 0.0 107.968 -179.671 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 . . . . . 0 N--CA 1.407 -2.583 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -35.75 99.23 0.02 OUTLIER 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 111.095 -2.775 . . . . 0.0 110.123 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.351 0.651 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.324 -177.479 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.873 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.321 0 CA-C-O 127.14 3.353 . . . . 0.0 117.75 . . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.5 m-85 84.63 134.87 0.05 Allowed 'General case' 1 N--CA 1.356 -5.125 1 CA-C-N 104.187 -5.915 . . . . 0.0 114.372 176.547 . . . . . . . . 5 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.41 51.2 6.83 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.645 -5.252 . . . . 0.0 107.824 -179.067 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.2 tt0 -172.5 4.14 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.649 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.294 -175.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.873 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 17.0 m-85 -144.96 -38.29 0.27 Allowed 'General case' 0 CA--C 1.449 -2.919 0 CA-C-O 125.077 2.37 . . . . 0.0 109.487 -176.336 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.949 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.9 -33.46 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.344 0 CA-C-N 108.695 -3.866 . . . . 0.0 106.303 -176.251 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.99 -5.76 12.52 Favored 'General case' 1 N--CA 1.356 -5.131 1 CA-C-N 106.424 -4.898 . . . . 0.0 113.053 -167.14 . . . . . . . . 6 4 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.589 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.3 pt20 -51.4 -30.02 17.72 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.78 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -85.59 -19.3 31.26 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.936 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.5 -36.24 8.04 Favored 'General case' 0 CA--C 1.471 -2.095 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.261 1.69 0 CA-C-N 112.164 -2.289 . . . . 0.0 108.185 -179.353 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 . . . . . 0 N--CA 1.412 -2.325 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.726 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -50.02 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 111.025 -2.807 . . . . 0.0 109.802 -177.199 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.871 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.424 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.433 0 CA-C-O 126.679 3.133 . . . . 0.0 116.233 . . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.744 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 30.4 m-85 85.99 134.47 0.05 OUTLIER 'General case' 1 N--CA 1.355 -5.202 1 CA-C-N 104.782 -5.645 . . . . 0.0 113.745 176.769 . . . . . . . . 5 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.81 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.58 50.72 7.05 Favored 'General case' 1 N--CA 1.376 -4.152 1 CA-C-N 105.742 -5.208 . . . . 0.0 107.583 -179.003 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.0 tt0 -171.16 4.59 0.02 OUTLIER 'General case' 0 N--CA 1.387 -3.599 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.167 -175.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.871 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 14.3 m-85 -145.72 -39.83 0.23 Allowed 'General case' 0 CA--C 1.45 -2.887 0 CA-C-O 125.386 2.517 . . . . 0.0 109.496 -176.1 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.22 -32.97 5.26 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.441 0 CA-C-N 108.488 -3.96 . . . . 0.0 106.626 -175.524 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.81 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.14 -11.66 12.0 Favored 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 106.78 -4.736 . . . . 0.0 113.587 -166.825 . . . . . . . . 6 4 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.574 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.3 pt20 -47.98 -32.87 7.04 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.489 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 19.1 ptp180 -77.19 -21.64 53.62 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.356 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -110.89 -44.71 3.57 Favored 'General case' 0 CA--C 1.481 -1.691 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.261 1.707 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.061 -179.27 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 . . . . . 0 N--CA 1.404 -2.741 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.892 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.2 mt -33.6 99.0 0.01 OUTLIER 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 111.252 -2.704 . . . . 0.0 110.331 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.353 0.739 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.432 -177.485 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.892 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.319 0 CA-C-O 127.103 3.335 . . . . 0.0 117.755 . . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.6 m-85 84.65 134.9 0.05 Allowed 'General case' 1 N--CA 1.357 -5.12 1 CA-C-N 104.209 -5.905 . . . . 0.0 114.424 176.639 . . . . . . . . 5 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.23 51.32 6.99 Favored 'General case' 1 N--CA 1.378 -4.039 1 CA-C-N 105.682 -5.235 . . . . 0.0 107.69 -179.124 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.5 tt0 -172.65 4.8 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 117.69 -1.604 . . . . 0.0 110.208 -175.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.872 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 16.9 m-85 -146.03 -37.84 0.25 Allowed 'General case' 0 CA--C 1.45 -2.876 0 CA-C-O 125.234 2.445 . . . . 0.0 109.602 -176.541 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.952 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.97 -33.47 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.409 0 CA-C-N 108.802 -3.817 . . . . 0.0 106.097 -176.299 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.42 -8.03 12.84 Favored 'General case' 1 N--CA 1.356 -5.162 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.857 -167.367 . . . . . . . . 6 4 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.21 -31.45 5.81 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.018 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -75.81 -22.73 56.05 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.236 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -112.49 -45.31 3.26 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.262 1.717 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.146 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 N--CA 1.403 -2.781 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.884 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -35.23 98.59 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.279 -2.691 . . . . 0.0 110.252 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.353 0.747 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.273 -177.435 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.884 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.437 -3.369 0 CA-C-O 127.101 3.334 . . . . 0.0 117.84 . . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.75 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.4 m-85 84.56 135.12 0.05 Allowed 'General case' 1 N--CA 1.357 -5.112 1 CA-C-N 104.23 -5.895 . . . . 0.0 114.372 176.67 . . . . . . . . 5 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 51.2 7.38 Favored 'General case' 1 N--CA 1.378 -4.028 1 CA-C-N 105.685 -5.234 . . . . 0.0 107.701 -179.077 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.35 4.5 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.668 0 C-N-CA 117.837 -1.545 . . . . 0.0 110.305 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.4 m-85 -146.0 -37.79 0.25 Allowed 'General case' 0 CA--C 1.45 -2.904 0 CA-C-O 125.164 2.412 . . . . 0.0 109.533 -176.461 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.945 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.59 -33.23 5.33 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.42 0 CA-C-N 108.833 -3.803 . . . . 0.0 105.884 -176.632 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.02 -6.92 12.55 Favored 'General case' 1 N--CA 1.356 -5.164 1 CA-C-N 106.367 -4.924 . . . . 0.0 112.692 -167.615 . . . . . . . . 6 4 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.561 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.85 -31.95 3.42 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.208 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.87 -23.3 58.38 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.042 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -111.15 -45.69 3.4 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt . . . . . 0 C--O 1.262 1.716 0 CA-C-N 113.731 -1.577 . . . . 0.0 108.12 -179.403 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 . . . . . 0 N--CA 1.413 -2.306 0 N-CA-C 103.236 -2.876 . . . . 0.0 103.236 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.733 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -49.42 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 111.011 -2.813 . . . . 0.0 109.836 -177.288 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.868 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.421 0.5 OUTLIER . . . . . 0 CA--C 1.435 -3.458 0 CA-C-O 126.756 3.169 . . . . 0.0 116.098 . . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.745 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.34 29.6 m-85 85.82 134.51 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.254 1 CA-C-N 104.675 -5.693 . . . . 0.0 113.72 176.822 . . . . . . . . 5 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.804 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.63 50.77 6.91 Favored 'General case' 1 N--CA 1.375 -4.181 1 CA-C-N 105.718 -5.219 . . . . 0.0 107.632 -178.937 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.4 tt0 -171.07 4.07 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.665 0 C-N-CA 117.899 -1.52 . . . . 0.0 110.228 -175.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.345 14.1 m-85 -145.88 -38.7 0.24 Allowed 'General case' 0 CA--C 1.447 -2.991 0 CA-C-O 125.134 2.397 . . . . 0.0 109.699 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.934 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.35 -33.41 5.48 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.444 0 CA-C-N 108.677 -3.874 . . . . 0.0 106.082 -176.132 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.804 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.415 0.0 OUTLIER -115.52 -6.57 12.25 Favored 'General case' 1 N--CA 1.356 -5.135 1 CA-C-N 106.559 -4.837 . . . . 0.0 113.014 -167.214 . . . . . . . . 6 4 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 4.9 pt20 -47.44 -31.38 4.11 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.079 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.65 -23.59 58.69 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.988 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -111.04 -46.26 3.35 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt . . . . . 0 C--O 1.262 1.72 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.17 -179.212 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 . . . . . 0 N--CA 1.413 -2.289 0 N-CA-C 103.223 -2.88 . . . . 0.0 103.223 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.863 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.72 98.75 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 CA-C-N 111.078 -2.783 . . . . 0.0 109.14 -177.74 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.35 0.598 0 CA-C-N 114.077 -1.419 . . . . 0.0 111.715 -177.367 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.882 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.315 0 CA-C-O 127.188 3.375 . . . . 0.0 117.68 . . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.762 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.0 m-85 84.3 135.07 0.05 Allowed 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.007 -5.997 . . . . 0.0 114.332 176.712 . . . . . . . . 5 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.823 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 52.65 6.13 Favored 'General case' 1 N--CA 1.376 -4.148 1 CA-C-N 105.588 -5.278 . . . . 0.0 107.988 -178.956 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.657 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.9 tt0 -173.38 1.02 0.01 OUTLIER 'General case' 0 N--CA 1.389 -3.493 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.59 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.882 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.333 17.5 m-85 -141.02 -40.09 0.4 Allowed 'General case' 0 CA--C 1.449 -2.925 0 CA-C-O 125.496 2.569 . . . . 0.0 109.088 -175.67 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.93 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.5 OUTLIER -90.99 -33.32 5.72 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.497 1 CA-C-N 108.176 -4.102 . . . . 0.0 105.12 -177.492 . . . . . . . . 6 4 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.823 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.406 0.0 OUTLIER -118.79 59.75 0.82 Allowed 'General case' 1 N--CA 1.345 -5.715 1 CA-C-N 106.517 -4.856 . . . . 0.0 110.438 -168.271 . . . . . . . . 6 4 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 2.7 pt20 -137.94 -32.7 0.73 Allowed 'General case' 0 C--N 1.283 -2.298 0 CA-C-N 113.489 -1.687 . . . . 0.0 108.687 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -87.65 -19.94 27.01 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.287 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -102.7 -28.61 12.01 Favored 'General case' 0 CA--C 1.473 -1.987 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.703 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.241 -179.487 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.77 97.75 0.01 OUTLIER 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 111.117 -2.765 . . . . 0.0 108.855 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 C--N 1.35 0.63 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.597 -177.178 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.869 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.438 -3.335 0 CA-C-O 127.103 3.335 . . . . 0.0 117.81 . . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.62 134.91 0.05 Allowed 'General case' 1 N--CA 1.357 -5.106 1 CA-C-N 104.159 -5.928 . . . . 0.0 114.332 176.663 . . . . . . . . 5 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.27 51.21 7.03 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 105.675 -5.239 . . . . 0.0 107.754 -179.154 . . . . . . . . 5 4 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.46 4.78 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.758 -1.577 . . . . 0.0 110.246 -175.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.9 m-85 -146.16 -37.79 0.24 Allowed 'General case' 0 CA--C 1.45 -2.901 0 CA-C-O 125.207 2.432 . . . . 0.0 109.604 -176.541 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.89 -33.07 5.17 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.319 0 CA-C-N 108.815 -3.811 . . . . 0.0 106.078 -176.439 . . . . . . . . 5 4 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -114.92 -8.29 12.53 Favored 'General case' 1 N--CA 1.356 -5.168 1 CA-C-N 106.441 -4.891 . . . . 0.0 112.724 -167.472 . . . . . . . . 6 4 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.94 -31.7 3.33 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.329 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -78.31 -20.84 50.66 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.565 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -114.99 -38.84 3.79 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.672 0 CA-C-N 113.927 -1.488 . . . . 0.0 108.096 -179.194 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 . . . . . 0 N--CA 1.41 -2.438 0 N-CA-C 103.131 -2.915 . . . . 0.0 103.131 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.73 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.341 0 CA-C-N 111.027 -2.806 . . . . 0.0 108.906 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.379 -177.373 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.312 0 CA-C-O 127.054 3.311 . . . . 0.0 117.767 . . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.2 m-85 84.75 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 104.134 -5.939 . . . . 0.0 114.382 176.626 . . . . . . . . 5 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.87 51.36 7.5 Favored 'General case' 1 N--CA 1.378 -4.073 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.683 -179.045 . . . . . . . . 5 4 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.41 4.41 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.634 0 C-N-CA 117.839 -1.544 . . . . 0.0 110.332 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.867 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 17.8 m-85 -146.01 -37.62 0.25 Allowed 'General case' 0 CA--C 1.449 -2.906 0 CA-C-O 125.167 2.413 . . . . 0.0 109.619 -176.498 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.939 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.56 -33.14 5.29 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.378 0 CA-C-N 108.792 -3.822 . . . . 0.0 105.823 -176.789 . . . . . . . . 5 4 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.07 -5.78 12.48 Favored 'General case' 1 N--CA 1.355 -5.203 1 CA-C-N 106.375 -4.92 . . . . 0.0 112.712 -167.624 . . . . . . . . 6 4 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.1 pt20 -48.99 -31.94 8.31 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -85.12 -19.08 32.38 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.689 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -100.97 -36.46 9.02 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 113.007 -1.906 . . . . 0.0 108.202 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 N--CA 1.404 -2.75 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.891 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -33.57 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 111.291 -2.686 . . . . 0.0 110.385 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.352 0.683 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.38 -177.473 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.891 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.319 0 CA-C-O 127.098 3.333 . . . . 0.0 117.713 . . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.69 134.85 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.158 -5.928 . . . . 0.0 114.366 176.623 . . . . . . . . 5 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.784 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.35 50.99 7.09 Favored 'General case' 1 N--CA 1.378 -4.061 1 CA-C-N 105.705 -5.225 . . . . 0.0 107.743 -179.196 . . . . . . . . 5 4 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.659 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.6 tt0 -172.42 4.95 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.701 -1.6 . . . . 0.0 110.22 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.873 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.5 m-85 -146.09 -37.78 0.24 Allowed 'General case' 0 CA--C 1.45 -2.895 0 CA-C-O 125.302 2.477 . . . . 0.0 109.598 -176.552 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.954 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -93.07 -33.38 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.388 0 CA-C-N 108.847 -3.797 . . . . 0.0 106.182 -176.3 . . . . . . . . 5 4 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.784 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.3 -8.51 12.89 Favored 'General case' 1 N--CA 1.356 -5.128 1 CA-C-N 106.447 -4.888 . . . . 0.0 112.819 -167.435 . . . . . . . . 6 4 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.576 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.23 -30.76 5.04 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.005 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -76.71 -21.03 55.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.508 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -117.11 -40.96 3.05 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.262 1.722 0 CA-C-N 113.847 -1.524 . . . . 0.0 108.231 -179.066 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 . . . . . 0 N--CA 1.414 -2.234 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.885 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -48.35 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 111.037 -2.801 . . . . 0.0 109.215 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.351 0.645 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.498 -177.606 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.885 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.441 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.309 0 CA-C-O 127.101 3.334 . . . . 0.0 117.78 . . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.353 30.0 m-85 84.8 135.32 0.05 Allowed 'General case' 1 N--CA 1.357 -5.117 1 CA-C-N 104.208 -5.905 . . . . 0.0 114.425 176.594 . . . . . . . . 5 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.807 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.67 51.21 7.98 Favored 'General case' 0 N--CA 1.379 -3.995 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.829 -178.864 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.654 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.01 3.82 0.01 OUTLIER 'General case' 0 N--CA 1.388 -3.552 0 C-N-CA 117.796 -1.561 . . . . 0.0 110.333 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.864 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.34 18.6 m-85 -145.11 -38.27 0.27 Allowed 'General case' 0 CA--C 1.447 -3.0 0 CA-C-O 125.031 2.348 . . . . 0.0 109.537 -176.338 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.946 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -91.86 -33.4 5.58 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.403 0 CA-C-N 108.68 -3.873 . . . . 0.0 105.702 -176.895 . . . . . . . . 5 4 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.807 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.46 -4.06 11.82 Favored 'General case' 1 N--CA 1.354 -5.236 1 CA-C-N 106.325 -4.943 . . . . 0.0 112.623 -167.669 . . . . . . . . 6 4 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 4.5 pt20 -44.56 -33.25 1.7 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.409 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -74.25 -20.83 60.02 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.051 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -115.59 -53.47 2.59 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--O 1.262 1.718 0 CA-C-N 114.198 -1.364 . . . . 0.0 109.159 179.25 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 . . . . . 0 N--CA 1.411 -2.419 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.867 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -45.85 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.245 -177.259 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.349 0.556 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.982 -177.62 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.867 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.443 0.8 OUTLIER . . . . . 0 CA--C 1.441 -3.244 0 CA-C-O 126.993 3.282 . . . . 0.0 117.8 . . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.356 31.5 m-85 85.32 134.74 0.05 OUTLIER 'General case' 1 N--CA 1.36 -4.936 1 CA-C-N 104.378 -5.828 . . . . 0.0 114.594 176.46 . . . . . . . . 5 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.53 51.32 8.11 Favored 'General case' 0 N--CA 1.38 -3.926 1 CA-C-N 105.614 -5.267 . . . . 0.0 107.658 -178.844 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.3 tt0 -171.88 4.89 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.681 0 C-N-CA 117.806 -1.558 . . . . 0.0 110.121 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.862 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 19.6 m-85 -146.63 -38.05 0.22 Allowed 'General case' 0 CA--C 1.45 -2.871 0 CA-C-O 125.279 2.466 . . . . 0.0 109.682 -176.628 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.957 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.26 -31.87 4.92 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.255 0 CA-C-N 108.725 -3.852 . . . . 0.0 105.852 -176.664 . . . . . . . . 5 4 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.809 HD22 ' HB ' ' A' ' 12' ' ' ILE 0.413 0.0 OUTLIER -116.42 -7.67 11.67 Favored 'General case' 1 N--CA 1.354 -5.255 1 CA-C-N 106.713 -4.767 . . . . 0.0 112.713 -167.594 . . . . . . . . 6 4 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.553 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.3 pt20 -47.05 -32.43 4.03 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.112 -1.403 . . . . 0.0 112.805 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -90.67 -17.89 26.02 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -103.48 -33.95 8.87 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.679 0 CA-C-N 112.165 -2.289 . . . . 0.0 108.115 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 . . . . . 0 N--CA 1.411 -2.377 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.858 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.57 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.281 0 CA-C-N 110.913 -2.858 . . . . 0.0 109.091 -177.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.35 0.626 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.648 -177.452 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.863 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER . . . . . 0 CA--C 1.44 -3.278 0 CA-C-O 127.11 3.338 . . . . 0.0 117.738 . . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.1 m-85 84.94 135.03 0.05 Allowed 'General case' 1 N--CA 1.357 -5.075 1 CA-C-N 104.141 -5.936 . . . . 0.0 114.386 176.603 . . . . . . . . 5 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.97 51.23 7.43 Favored 'General case' 1 N--CA 1.378 -4.025 1 CA-C-N 105.679 -5.237 . . . . 0.0 107.692 -179.112 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.655 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.34 4.46 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.698 0 C-N-CA 117.772 -1.571 . . . . 0.0 110.348 -175.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.863 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 16.5 m-85 -146.04 -37.82 0.25 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.234 2.445 . . . . 0.0 109.58 -176.526 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.938 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.33 -33.11 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.371 0 CA-C-N 108.785 -3.825 . . . . 0.0 105.762 -176.715 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.43 -7.52 12.28 Favored 'General case' 1 N--CA 1.354 -5.251 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.614 -167.711 . . . . . . . . 6 4 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -44.36 -33.82 1.77 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.525 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -76.14 -22.43 55.46 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.334 -175.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -111.96 -38.61 4.75 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm . . . . . 0 C--O 1.262 1.75 0 CA-C-N 114.275 -1.329 . . . . 0.0 107.915 -179.319 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.9 mmt -113.66 119.28 36.91 Favored 'General case' 0 CA--C 1.47 -2.128 0 CA-C-O 122.532 1.158 . . . . 0.0 108.413 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -102.22 -36.43 8.51 Favored 'General case' 0 N--CA 1.408 -2.529 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.838 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -43.94 99.08 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.403 0 CA-C-N 111.526 -2.579 . . . . 0.0 109.613 -177.222 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 7' ' ' PHE . 3.7 p -99.7 -81.03 0.46 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.861 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.853 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.446 0.8 OUTLIER -55.37 141.7 35.14 Favored 'General case' 0 CA--C 1.439 -3.306 0 CA-C-O 127.099 3.333 . . . . 0.0 117.744 -170.803 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.5 m-85 84.62 135.16 0.05 Allowed 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 104.188 -5.914 . . . . 0.0 114.391 176.575 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.785 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.76 51.35 7.69 Favored 'General case' 1 N--CA 1.378 -4.042 1 CA-C-N 105.666 -5.243 . . . . 0.0 107.815 -178.902 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.664 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.0 tt0 -172.22 4.47 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.673 0 C-N-CA 117.756 -1.578 . . . . 0.0 110.238 -175.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.853 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 20.7 m-85 -146.55 -37.09 0.24 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.178 2.418 . . . . 0.0 109.668 -176.482 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.946 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.85 -32.45 4.98 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.338 0 CA-C-N 109.009 -3.723 . . . . 0.0 105.631 -176.834 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.788 HD22 ' HB ' ' A' ' 12' ' ' ILE 0.413 0.0 OUTLIER -115.46 -5.12 12.26 Favored 'General case' 1 N--CA 1.355 -5.219 1 CA-C-N 106.321 -4.945 . . . . 0.0 112.521 -167.817 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.555 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.2 pt20 -49.53 -32.72 12.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.711 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -85.05 -19.28 32.2 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.603 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -98.74 -32.48 11.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.262 1.743 0 CA-C-N 112.603 -2.09 . . . . 0.0 108.019 179.363 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.913 0.387 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 mmt -104.34 120.66 41.7 Favored 'General case' 0 CA--C 1.468 -2.204 0 CA-C-O 122.599 1.19 . . . . 0.0 108.491 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -95.11 -38.97 10.36 Favored 'General case' 0 N--CA 1.407 -2.585 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -38.25 98.32 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.209 0 CA-C-N 111.181 -2.736 . . . . 0.0 109.936 -178.287 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 7' ' ' PHE . 23.0 t -94.24 -81.5 0.38 Allowed 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.286 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.437 0.8 OUTLIER -55.3 141.67 34.83 Favored 'General case' 0 CA--C 1.438 -3.343 0 CA-C-O 127.169 3.366 . . . . 0.0 117.772 -170.829 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 29.9 m-85 84.84 135.15 0.05 Allowed 'General case' 1 N--CA 1.358 -5.065 1 CA-C-N 104.207 -5.906 . . . . 0.0 114.356 176.551 . . . . . . . . 5 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.786 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.75 51.49 7.58 Favored 'General case' 1 N--CA 1.378 -4.048 1 CA-C-N 105.671 -5.24 . . . . 0.0 107.688 -178.993 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.2 tt0 -172.41 4.29 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.672 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.296 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.865 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.346 18.0 m-85 -146.19 -37.45 0.24 Allowed 'General case' 0 CA--C 1.45 -2.884 0 CA-C-O 125.154 2.407 . . . . 0.0 109.608 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.6 OUTLIER -92.53 -32.78 5.14 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.349 0 CA-C-N 108.854 -3.794 . . . . 0.0 105.77 -176.859 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.6 -6.87 12.21 Favored 'General case' 1 N--CA 1.354 -5.229 1 CA-C-N 106.364 -4.926 . . . . 0.0 112.639 -167.672 . . . . . . . . 6 4 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.553 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.72 -33.31 2.92 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.288 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.82 -23.01 58.39 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.181 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -111.35 -44.38 3.55 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt . . . . . 0 C--O 1.263 1.765 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.075 -179.184 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mmm -129.89 162.45 28.55 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 172.74 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 103.242 -2.873 . . . . 0.0 103.242 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.742 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -47.21 93.95 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.175 0 CA-C-N 110.943 -2.844 . . . . 0.0 110.283 -177.358 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -113.74 138.66 49.94 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.864 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER -56.33 140.99 43.42 Favored 'General case' 0 CA--C 1.436 -3.414 0 CA-C-O 126.655 3.121 . . . . 0.0 116.234 -172.591 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.745 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 29.1 m-85 86.2 134.85 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.869 -5.605 . . . . 0.0 113.926 176.828 . . . . . . . . 5 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.799 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.1 50.24 8.37 Favored 'General case' 1 N--CA 1.377 -4.087 1 CA-C-N 105.77 -5.196 . . . . 0.0 107.607 -178.735 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -170.33 4.73 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.667 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.242 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.864 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.348 13.7 m-85 -147.2 -38.73 0.2 Allowed 'General case' 0 CA--C 1.448 -2.956 0 CA-C-O 125.3 2.476 . . . . 0.0 109.8 -176.25 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.93 ' H ' HD12 ' A' ' 12' ' ' ILE 0.261 0.6 OUTLIER -91.21 -32.87 5.43 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.418 0 CA-C-N 108.646 -3.888 . . . . 0.0 105.659 -176.685 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.799 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -116.45 -7.23 11.7 Favored 'General case' 1 N--CA 1.353 -5.307 1 CA-C-N 106.387 -4.915 . . . . 0.0 112.601 -167.703 . . . . . . . . 6 4 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.6 pt20 -42.99 -34.74 1.04 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.344 -1.298 . . . . 0.0 112.746 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -73.47 -20.72 60.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.037 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -115.13 -53.81 2.6 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.263 1.796 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.098 179.467 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.052 0.453 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.9 mtt -134.21 162.43 32.18 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 173.0 -37.12 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -49.51 98.05 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 111.019 -2.81 . . . . 0.0 108.986 -177.631 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 7' ' ' PHE . 73.3 m -93.87 -80.42 0.39 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.579 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.874 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.442 0.8 OUTLIER -55.11 141.73 33.5 Favored 'General case' 0 CA--C 1.439 -3.315 0 CA-C-O 127.04 3.305 . . . . 0.0 117.912 -170.878 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.5 135.1 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.175 -5.92 . . . . 0.0 114.282 176.603 . . . . . . . . 5 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.803 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.92 51.33 7.43 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.715 -179.04 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.09 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.773 -1.571 . . . . 0.0 110.248 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 18.7 m-85 -145.47 -37.97 0.26 Allowed 'General case' 0 CA--C 1.447 -2.997 0 CA-C-O 125.052 2.358 . . . . 0.0 109.547 -176.333 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.36 -33.21 5.36 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.442 0 CA-C-N 108.829 -3.805 . . . . 0.0 105.778 -176.68 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.803 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.12 -4.98 11.91 Favored 'General case' 1 N--CA 1.355 -5.18 1 CA-C-N 106.381 -4.918 . . . . 0.0 112.647 -167.594 . . . . . . . . 6 4 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.566 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 4.9 pt20 -46.33 -32.79 3.36 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.304 -1.316 . . . . 0.0 112.361 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -84.56 -19.32 33.33 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.071 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.97 -38.96 6.77 Favored 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--O 1.263 1.769 0 CA-C-N 112.428 -2.169 . . . . 0.0 107.981 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.124 0.487 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 96.6 mmm -99.37 105.37 17.33 Favored 'General case' 0 CA--C 1.466 -2.267 0 CA-C-O 122.287 1.041 . . . . 0.0 108.308 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -75.26 -41.99 56.1 Favored 'General case' 0 N--CA 1.404 -2.732 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -32.48 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 111.257 -2.701 . . . . 0.0 111.037 -177.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -118.08 133.42 55.92 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.882 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER -55.42 140.75 38.99 Favored 'General case' 0 CA--C 1.436 -3.409 0 CA-C-O 126.722 3.153 . . . . 0.0 116.176 -172.601 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.739 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.342 30.4 m-85 85.95 134.36 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.265 1 CA-C-N 104.745 -5.662 . . . . 0.0 113.751 176.818 . . . . . . . . 5 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.81 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.91 50.6 6.67 Favored 'General case' 1 N--CA 1.376 -4.159 1 CA-C-N 105.796 -5.184 . . . . 0.0 107.575 -179.108 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.656 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.6 tt0 -171.29 4.59 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.595 0 C-N-CA 117.835 -1.546 . . . . 0.0 110.141 -175.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.882 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.336 12.8 m-85 -145.41 -39.66 0.24 Allowed 'General case' 0 CA--C 1.449 -2.933 0 CA-C-O 125.224 2.44 . . . . 0.0 109.583 -176.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.963 ' H ' HD12 ' A' ' 12' ' ' ILE 0.268 0.6 OUTLIER -92.41 -33.63 5.6 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.473 0 CA-C-N 108.575 -3.92 . . . . 0.0 106.74 -175.512 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.411 0.0 OUTLIER -114.42 -10.92 12.56 Favored 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 106.658 -4.792 . . . . 0.0 113.496 -166.825 . . . . . . . . 6 4 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.2 pt20 -48.67 -31.8 7.34 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.503 -1.226 . . . . 0.0 112.174 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 9.1 ptm180 -75.39 -21.49 58.22 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.341 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -114.39 -44.15 3.13 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.381 -1.341 . . . . 0.0 107.381 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.701 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.229 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -134.02 162.47 31.99 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 173.34 -37.27 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.345 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.873 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.33 98.31 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 111.053 -2.794 . . . . 0.0 109.181 -177.601 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.3 p -91.45 -84.44 0.26 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.068 -1.424 . . . . 0.0 111.529 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.873 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER -55.09 141.5 34.28 Favored 'General case' 0 CA--C 1.439 -3.297 0 CA-C-O 127.027 3.298 . . . . 0.0 117.81 -170.86 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.1 m-85 84.77 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.092 1 CA-C-N 104.222 -5.899 . . . . 0.0 114.397 176.64 . . . . . . . . 5 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.797 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.31 7.39 Favored 'General case' 1 N--CA 1.379 -4.012 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.717 -179.009 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.34 4.39 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.604 0 C-N-CA 117.768 -1.573 . . . . 0.0 110.264 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.3 m-85 -146.08 -37.65 0.25 Allowed 'General case' 0 CA--C 1.449 -2.94 0 CA-C-O 125.202 2.429 . . . . 0.0 109.62 -176.498 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.941 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.52 -33.11 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.322 0 CA-C-N 108.796 -3.82 . . . . 0.0 105.758 -176.7 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.797 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.414 0.0 OUTLIER -115.38 -7.05 12.33 Favored 'General case' 1 N--CA 1.355 -5.223 1 CA-C-N 106.337 -4.938 . . . . 0.0 112.604 -167.691 . . . . . . . . 6 4 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.558 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.17 -33.25 2.18 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.378 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.58 -22.73 56.71 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.255 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -111.71 -39.43 4.59 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.262 1.73 0 CA-C-N 114.198 -1.365 . . . . 0.0 107.982 -179.342 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.773 0.321 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.8 mmm -129.16 161.92 28.97 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 172.38 -36.56 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.882 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.94 98.18 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.419 0 CA-C-N 111.027 -2.806 . . . . 0.0 109.079 -177.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 7' ' ' PHE . 23.2 t -92.86 -82.28 0.33 Allowed 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.326 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.882 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.439 0.8 OUTLIER -55.28 141.78 34.32 Favored 'General case' 0 CA--C 1.44 -3.282 0 CA-C-O 127.129 3.347 . . . . 0.0 117.748 -170.776 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.752 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.49 135.08 0.05 Allowed 'General case' 1 N--CA 1.357 -5.089 1 CA-C-N 104.12 -5.946 . . . . 0.0 114.313 176.64 . . . . . . . . 5 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.8 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.42 7.3 Favored 'General case' 1 N--CA 1.377 -4.102 1 CA-C-N 105.644 -5.253 . . . . 0.0 107.756 -179.06 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.38 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.812 -1.555 . . . . 0.0 110.283 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.859 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 18.8 m-85 -145.34 -37.77 0.27 Allowed 'General case' 0 CA--C 1.448 -2.979 0 CA-C-O 125.057 2.361 . . . . 0.0 109.61 -176.365 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.939 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.5 -33.22 5.34 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.408 0 CA-C-N 108.77 -3.832 . . . . 0.0 105.757 -176.806 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.8 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -115.88 -4.15 12.11 Favored 'General case' 1 N--CA 1.355 -5.224 1 CA-C-N 106.336 -4.938 . . . . 0.0 112.658 -167.639 . . . . . . . . 6 4 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 4.9 pt20 -47.76 -31.92 5.37 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.106 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -83.0 -19.2 37.45 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.88 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -105.46 -39.86 5.99 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.925 -179.502 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.883 0.373 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.8 mtp -103.73 106.6 17.15 Favored 'General case' 0 CA--C 1.465 -2.323 0 CA-C-O 122.394 1.092 . . . . 0.0 108.508 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -74.99 -41.73 58.92 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.875 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -35.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 111.321 -2.672 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 7' ' ' PHE . 74.7 m -94.38 -80.33 0.4 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.501 -177.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.875 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.436 0.8 OUTLIER -55.06 141.73 33.25 Favored 'General case' 0 CA--C 1.439 -3.313 0 CA-C-O 127.082 3.325 . . . . 0.0 117.862 -170.877 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.75 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.4 m-85 84.64 135.06 0.05 Allowed 'General case' 1 N--CA 1.357 -5.088 1 CA-C-N 104.189 -5.914 . . . . 0.0 114.422 176.621 . . . . . . . . 5 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.791 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.91 51.11 7.65 Favored 'General case' 1 N--CA 1.379 -4.017 1 CA-C-N 105.692 -5.231 . . . . 0.0 107.669 -179.016 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.14 4.64 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.662 0 C-N-CA 117.794 -1.562 . . . . 0.0 110.28 -175.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 17.8 m-85 -146.05 -38.1 0.24 Allowed 'General case' 0 CA--C 1.45 -2.875 0 CA-C-O 125.227 2.441 . . . . 0.0 109.462 -176.538 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.947 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.16 -32.96 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.336 0 CA-C-N 108.722 -3.854 . . . . 0.0 105.825 -176.671 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.791 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.52 -7.05 12.25 Favored 'General case' 1 N--CA 1.355 -5.189 1 CA-C-N 106.448 -4.887 . . . . 0.0 112.725 -167.63 . . . . . . . . 6 4 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -46.75 -33.11 4.09 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.362 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -83.51 -18.33 38.83 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.065 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -105.83 -38.9 6.21 Favored 'General case' 0 CA--C 1.473 -2.004 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt . . . . . 0 C--O 1.262 1.728 0 CA-C-N 112.468 -2.151 . . . . 0.0 107.968 -179.671 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.898 0.38 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.0 mtp -109.01 123.78 49.67 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 122.677 1.227 . . . . 0.0 108.513 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -95.69 -39.71 9.75 Favored 'General case' 0 N--CA 1.407 -2.583 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -35.75 99.23 0.02 OUTLIER 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 111.095 -2.775 . . . . 0.0 110.123 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.0 p -93.63 -83.85 0.32 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.324 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.873 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER -54.77 141.46 32.6 Favored 'General case' 0 CA--C 1.439 -3.321 0 CA-C-O 127.14 3.353 . . . . 0.0 117.75 -170.82 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.5 m-85 84.63 134.87 0.05 Allowed 'General case' 1 N--CA 1.356 -5.125 1 CA-C-N 104.187 -5.915 . . . . 0.0 114.372 176.547 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.41 51.2 6.83 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.645 -5.252 . . . . 0.0 107.824 -179.067 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.2 tt0 -172.5 4.14 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.649 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.294 -175.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.873 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 17.0 m-85 -144.96 -38.29 0.27 Allowed 'General case' 0 CA--C 1.449 -2.919 0 CA-C-O 125.077 2.37 . . . . 0.0 109.487 -176.336 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.949 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.9 -33.46 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.344 0 CA-C-N 108.695 -3.866 . . . . 0.0 106.303 -176.251 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.99 -5.76 12.52 Favored 'General case' 1 N--CA 1.356 -5.131 1 CA-C-N 106.424 -4.898 . . . . 0.0 113.053 -167.14 . . . . . . . . 6 4 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.589 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.3 pt20 -51.4 -30.02 17.72 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.78 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -85.59 -19.3 31.26 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.936 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.5 -36.24 8.04 Favored 'General case' 0 CA--C 1.471 -2.095 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.261 1.69 0 CA-C-N 112.164 -2.289 . . . . 0.0 108.185 -179.353 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.8 mtt -134.06 162.46 32.03 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 171.22 -35.62 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.325 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.726 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -50.02 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 111.025 -2.807 . . . . 0.0 109.802 -177.199 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t -116.21 133.44 56.02 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.871 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.424 0.5 OUTLIER -55.38 140.77 38.7 Favored 'General case' 0 CA--C 1.436 -3.433 0 CA-C-O 126.679 3.133 . . . . 0.0 116.233 -172.595 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.744 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 30.4 m-85 85.99 134.47 0.05 OUTLIER 'General case' 1 N--CA 1.355 -5.202 1 CA-C-N 104.782 -5.645 . . . . 0.0 113.745 176.769 . . . . . . . . 5 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.81 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.58 50.72 7.05 Favored 'General case' 1 N--CA 1.376 -4.152 1 CA-C-N 105.742 -5.208 . . . . 0.0 107.583 -179.003 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.0 tt0 -171.16 4.59 0.02 OUTLIER 'General case' 0 N--CA 1.387 -3.599 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.167 -175.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.871 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 14.3 m-85 -145.72 -39.83 0.23 Allowed 'General case' 0 CA--C 1.45 -2.887 0 CA-C-O 125.386 2.517 . . . . 0.0 109.496 -176.1 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.22 -32.97 5.26 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.441 0 CA-C-N 108.488 -3.96 . . . . 0.0 106.626 -175.524 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.14 -11.66 12.0 Favored 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 106.78 -4.736 . . . . 0.0 113.587 -166.825 . . . . . . . . 6 4 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.574 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.3 pt20 -47.98 -32.87 7.04 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.489 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 19.1 ptp180 -77.19 -21.64 53.62 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.356 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -110.89 -44.71 3.57 Favored 'General case' 0 CA--C 1.481 -1.691 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.261 1.707 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.061 -179.27 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.2 mmt -101.45 106.38 17.5 Favored 'General case' 0 CA--C 1.466 -2.283 0 CA-C-O 122.288 1.042 . . . . 0.0 108.533 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -76.36 -41.92 46.53 Favored 'General case' 0 N--CA 1.404 -2.741 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.892 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.2 mt -33.6 99.0 0.01 OUTLIER 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 111.252 -2.704 . . . . 0.0 110.331 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.5 p -92.88 -83.98 0.3 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.432 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.892 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.439 0.8 OUTLIER -54.79 141.53 32.43 Favored 'General case' 0 CA--C 1.439 -3.319 0 CA-C-O 127.103 3.335 . . . . 0.0 117.755 -170.887 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.6 m-85 84.65 134.9 0.05 Allowed 'General case' 1 N--CA 1.357 -5.12 1 CA-C-N 104.209 -5.905 . . . . 0.0 114.424 176.639 . . . . . . . . 5 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.23 51.32 6.99 Favored 'General case' 1 N--CA 1.378 -4.039 1 CA-C-N 105.682 -5.235 . . . . 0.0 107.69 -179.124 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.5 tt0 -172.65 4.8 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 117.69 -1.604 . . . . 0.0 110.208 -175.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.872 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 16.9 m-85 -146.03 -37.84 0.25 Allowed 'General case' 0 CA--C 1.45 -2.876 0 CA-C-O 125.234 2.445 . . . . 0.0 109.602 -176.541 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.952 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.97 -33.47 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.409 0 CA-C-N 108.802 -3.817 . . . . 0.0 106.097 -176.299 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.42 -8.03 12.84 Favored 'General case' 1 N--CA 1.356 -5.162 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.857 -167.367 . . . . . . . . 6 4 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.21 -31.45 5.81 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.018 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -75.81 -22.73 56.05 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.236 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -112.49 -45.31 3.26 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.262 1.717 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.146 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.134 0.492 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 39.2 mmt -95.07 105.15 17.05 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-O 122.34 1.066 . . . . 0.0 108.551 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -74.61 -41.77 59.84 Favored 'General case' 0 N--CA 1.403 -2.781 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.884 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -35.23 98.59 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.279 -2.691 . . . . 0.0 110.252 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 24.4 t -93.88 -82.51 0.35 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.273 -177.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.884 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER -55.03 141.67 33.3 Favored 'General case' 0 CA--C 1.437 -3.369 0 CA-C-O 127.101 3.334 . . . . 0.0 117.84 -170.963 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.75 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.4 m-85 84.56 135.12 0.05 Allowed 'General case' 1 N--CA 1.357 -5.112 1 CA-C-N 104.23 -5.895 . . . . 0.0 114.372 176.67 . . . . . . . . 5 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 51.2 7.38 Favored 'General case' 1 N--CA 1.378 -4.028 1 CA-C-N 105.685 -5.234 . . . . 0.0 107.701 -179.077 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.35 4.5 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.668 0 C-N-CA 117.837 -1.545 . . . . 0.0 110.305 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.4 m-85 -146.0 -37.79 0.25 Allowed 'General case' 0 CA--C 1.45 -2.904 0 CA-C-O 125.164 2.412 . . . . 0.0 109.533 -176.461 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.945 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.59 -33.23 5.33 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.42 0 CA-C-N 108.833 -3.803 . . . . 0.0 105.884 -176.632 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.02 -6.92 12.55 Favored 'General case' 1 N--CA 1.356 -5.164 1 CA-C-N 106.367 -4.924 . . . . 0.0 112.692 -167.615 . . . . . . . . 6 4 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.561 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.85 -31.95 3.42 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.208 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.87 -23.3 58.38 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.042 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -111.15 -45.69 3.4 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt . . . . . 0 C--O 1.262 1.716 0 CA-C-N 113.731 -1.577 . . . . 0.0 108.12 -179.403 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.043 0.449 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.8 mtp -133.42 162.5 31.68 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 171.58 -35.85 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.306 0 N-CA-C 103.236 -2.876 . . . . 0.0 103.236 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.733 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -49.42 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 111.011 -2.813 . . . . 0.0 109.836 -177.288 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -116.55 133.84 55.55 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.868 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.421 0.5 OUTLIER -55.64 140.87 39.8 Favored 'General case' 0 CA--C 1.435 -3.458 0 CA-C-O 126.756 3.169 . . . . 0.0 116.098 -172.614 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.745 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.34 29.6 m-85 85.82 134.51 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.254 1 CA-C-N 104.675 -5.693 . . . . 0.0 113.72 176.822 . . . . . . . . 5 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.804 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.63 50.77 6.91 Favored 'General case' 1 N--CA 1.375 -4.181 1 CA-C-N 105.718 -5.219 . . . . 0.0 107.632 -178.937 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.4 tt0 -171.07 4.07 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.665 0 C-N-CA 117.899 -1.52 . . . . 0.0 110.228 -175.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.345 14.1 m-85 -145.88 -38.7 0.24 Allowed 'General case' 0 CA--C 1.447 -2.991 0 CA-C-O 125.134 2.397 . . . . 0.0 109.699 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.934 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.35 -33.41 5.48 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.444 0 CA-C-N 108.677 -3.874 . . . . 0.0 106.082 -176.132 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.804 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.415 0.0 OUTLIER -115.52 -6.57 12.25 Favored 'General case' 1 N--CA 1.356 -5.135 1 CA-C-N 106.559 -4.837 . . . . 0.0 113.014 -167.214 . . . . . . . . 6 4 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 4.9 pt20 -47.44 -31.38 4.11 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.079 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.65 -23.59 58.69 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.988 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -111.04 -46.26 3.35 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt . . . . . 0 C--O 1.262 1.72 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.17 -179.212 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -129.65 161.78 29.81 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 173.09 -36.7 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.289 0 N-CA-C 103.223 -2.88 . . . . 0.0 103.223 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.863 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.72 98.75 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 CA-C-N 111.078 -2.783 . . . . 0.0 109.14 -177.74 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.5 p -90.25 -85.56 0.21 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.077 -1.419 . . . . 0.0 111.715 -177.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.882 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER -54.42 141.47 30.51 Favored 'General case' 0 CA--C 1.439 -3.315 0 CA-C-O 127.188 3.375 . . . . 0.0 117.68 -170.765 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.762 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.0 m-85 84.3 135.07 0.05 Allowed 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.007 -5.997 . . . . 0.0 114.332 176.712 . . . . . . . . 5 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.823 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 52.65 6.13 Favored 'General case' 1 N--CA 1.376 -4.148 1 CA-C-N 105.588 -5.278 . . . . 0.0 107.988 -178.956 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.657 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.9 tt0 -173.38 1.02 0.01 OUTLIER 'General case' 0 N--CA 1.389 -3.493 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.59 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.882 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.333 17.5 m-85 -141.02 -40.09 0.4 Allowed 'General case' 0 CA--C 1.449 -2.925 0 CA-C-O 125.496 2.569 . . . . 0.0 109.088 -175.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.93 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.5 OUTLIER -90.99 -33.32 5.72 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.497 1 CA-C-N 108.176 -4.102 . . . . 0.0 105.12 -177.492 . . . . . . . . 6 4 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.823 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.406 0.0 OUTLIER -118.79 59.75 0.82 Allowed 'General case' 1 N--CA 1.345 -5.715 1 CA-C-N 106.517 -4.856 . . . . 0.0 110.438 -168.271 . . . . . . . . 6 4 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 2.7 pt20 -137.94 -32.7 0.73 Allowed 'General case' 0 C--N 1.283 -2.298 0 CA-C-N 113.489 -1.687 . . . . 0.0 108.687 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -87.65 -19.94 27.01 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.287 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -102.7 -28.61 12.01 Favored 'General case' 0 CA--C 1.473 -1.987 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.703 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.241 -179.487 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.6 mtp -133.52 162.34 32.14 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 173.07 -36.77 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.77 97.75 0.01 OUTLIER 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 111.117 -2.765 . . . . 0.0 108.855 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.534 ' C ' ' H ' ' A' ' 7' ' ' PHE . 73.3 m -93.47 -80.56 0.38 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.597 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.869 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER -55.06 141.63 33.62 Favored 'General case' 0 CA--C 1.438 -3.335 0 CA-C-O 127.103 3.335 . . . . 0.0 117.81 -170.886 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.62 134.91 0.05 Allowed 'General case' 1 N--CA 1.357 -5.106 1 CA-C-N 104.159 -5.928 . . . . 0.0 114.332 176.663 . . . . . . . . 5 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.27 51.21 7.03 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 105.675 -5.239 . . . . 0.0 107.754 -179.154 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.46 4.78 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.758 -1.577 . . . . 0.0 110.246 -175.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.9 m-85 -146.16 -37.79 0.24 Allowed 'General case' 0 CA--C 1.45 -2.901 0 CA-C-O 125.207 2.432 . . . . 0.0 109.604 -176.541 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.89 -33.07 5.17 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.319 0 CA-C-N 108.815 -3.811 . . . . 0.0 106.078 -176.439 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -114.92 -8.29 12.53 Favored 'General case' 1 N--CA 1.356 -5.168 1 CA-C-N 106.441 -4.891 . . . . 0.0 112.724 -167.472 . . . . . . . . 6 4 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.94 -31.7 3.33 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.329 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -78.31 -20.84 50.66 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.565 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -114.99 -38.84 3.79 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.672 0 CA-C-N 113.927 -1.488 . . . . 0.0 108.096 -179.194 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.122 0.487 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptm -156.57 166.65 32.8 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 122.344 1.068 . . . . 0.0 108.393 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 168.91 -37.09 0.0 OUTLIER 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 103.131 -2.915 . . . . 0.0 103.131 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.73 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.341 0 CA-C-N 111.027 -2.806 . . . . 0.0 108.906 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 22.9 t -91.59 -83.34 0.28 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.379 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER -55.06 141.57 33.87 Favored 'General case' 0 CA--C 1.439 -3.312 0 CA-C-O 127.054 3.311 . . . . 0.0 117.767 -170.863 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.2 m-85 84.75 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 104.134 -5.939 . . . . 0.0 114.382 176.626 . . . . . . . . 5 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.87 51.36 7.5 Favored 'General case' 1 N--CA 1.378 -4.073 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.683 -179.045 . . . . . . . . 5 4 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.41 4.41 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.634 0 C-N-CA 117.839 -1.544 . . . . 0.0 110.332 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.867 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 17.8 m-85 -146.01 -37.62 0.25 Allowed 'General case' 0 CA--C 1.449 -2.906 0 CA-C-O 125.167 2.413 . . . . 0.0 109.619 -176.498 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.939 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.56 -33.14 5.29 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.378 0 CA-C-N 108.792 -3.822 . . . . 0.0 105.823 -176.789 . . . . . . . . 5 4 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.07 -5.78 12.48 Favored 'General case' 1 N--CA 1.355 -5.203 1 CA-C-N 106.375 -4.92 . . . . 0.0 112.712 -167.624 . . . . . . . . 6 4 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.1 pt20 -48.99 -31.94 8.31 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -85.12 -19.08 32.38 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.689 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -100.97 -36.46 9.02 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 113.007 -1.906 . . . . 0.0 108.202 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.805 0.336 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.7 mtp -105.15 107.6 18.67 Favored 'General case' 0 CA--C 1.465 -2.323 0 CA-C-O 122.268 1.033 . . . . 0.0 108.57 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -74.78 -42.06 58.85 Favored 'General case' 0 N--CA 1.404 -2.75 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.891 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -33.57 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 111.291 -2.686 . . . . 0.0 110.385 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.4 p -93.16 -84.02 0.3 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.38 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.891 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.436 0.8 OUTLIER -54.95 141.62 33.02 Favored 'General case' 0 CA--C 1.439 -3.319 0 CA-C-O 127.098 3.333 . . . . 0.0 117.713 -170.796 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.69 134.85 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.158 -5.928 . . . . 0.0 114.366 176.623 . . . . . . . . 5 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.784 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.35 50.99 7.09 Favored 'General case' 1 N--CA 1.378 -4.061 1 CA-C-N 105.705 -5.225 . . . . 0.0 107.743 -179.196 . . . . . . . . 5 4 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.659 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.6 tt0 -172.42 4.95 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.701 -1.6 . . . . 0.0 110.22 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.873 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.5 m-85 -146.09 -37.78 0.24 Allowed 'General case' 0 CA--C 1.45 -2.895 0 CA-C-O 125.302 2.477 . . . . 0.0 109.598 -176.552 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.954 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -93.07 -33.38 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.388 0 CA-C-N 108.847 -3.797 . . . . 0.0 106.182 -176.3 . . . . . . . . 5 4 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.784 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.3 -8.51 12.89 Favored 'General case' 1 N--CA 1.356 -5.128 1 CA-C-N 106.447 -4.888 . . . . 0.0 112.819 -167.435 . . . . . . . . 6 4 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.576 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.23 -30.76 5.04 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.005 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -76.71 -21.03 55.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.508 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -117.11 -40.96 3.05 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.262 1.722 0 CA-C-N 113.847 -1.524 . . . . 0.0 108.231 -179.066 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.075 0.464 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mmm -129.53 162.09 28.98 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 173.53 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.885 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -48.35 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 111.037 -2.801 . . . . 0.0 109.215 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.534 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.0 p -92.2 -84.33 0.28 Allowed 'General case' 0 C--N 1.351 0.645 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.498 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.885 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.441 0.8 OUTLIER -55.13 141.48 34.58 Favored 'General case' 0 CA--C 1.439 -3.309 0 CA-C-O 127.101 3.334 . . . . 0.0 117.78 -170.873 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.353 30.0 m-85 84.8 135.32 0.05 Allowed 'General case' 1 N--CA 1.357 -5.117 1 CA-C-N 104.208 -5.905 . . . . 0.0 114.425 176.594 . . . . . . . . 5 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.807 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.67 51.21 7.98 Favored 'General case' 0 N--CA 1.379 -3.995 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.829 -178.864 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.654 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.01 3.82 0.01 OUTLIER 'General case' 0 N--CA 1.388 -3.552 0 C-N-CA 117.796 -1.561 . . . . 0.0 110.333 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.864 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.34 18.6 m-85 -145.11 -38.27 0.27 Allowed 'General case' 0 CA--C 1.447 -3.0 0 CA-C-O 125.031 2.348 . . . . 0.0 109.537 -176.338 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.946 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -91.86 -33.4 5.58 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.403 0 CA-C-N 108.68 -3.873 . . . . 0.0 105.702 -176.895 . . . . . . . . 5 4 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.807 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.46 -4.06 11.82 Favored 'General case' 1 N--CA 1.354 -5.236 1 CA-C-N 106.325 -4.943 . . . . 0.0 112.623 -167.669 . . . . . . . . 6 4 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 4.5 pt20 -44.56 -33.25 1.7 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.409 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -74.25 -20.83 60.02 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.051 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -115.59 -53.47 2.59 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--O 1.262 1.718 0 CA-C-N 114.198 -1.364 . . . . 0.0 109.159 179.25 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.1 mtm -123.84 125.38 44.56 Favored 'General case' 0 CA--C 1.468 -2.177 0 CA-C-O 122.685 1.231 . . . . 0.0 108.166 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -103.6 -34.34 8.68 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.867 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -45.85 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.245 -177.259 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 7' ' ' PHE . 4.9 p -100.56 -80.13 0.49 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.982 -177.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.867 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.443 0.8 OUTLIER -54.87 141.2 34.19 Favored 'General case' 0 CA--C 1.441 -3.244 0 CA-C-O 126.993 3.282 . . . . 0.0 117.8 -170.808 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.356 31.5 m-85 85.32 134.74 0.05 OUTLIER 'General case' 1 N--CA 1.36 -4.936 1 CA-C-N 104.378 -5.828 . . . . 0.0 114.594 176.46 . . . . . . . . 5 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.53 51.32 8.11 Favored 'General case' 0 N--CA 1.38 -3.926 1 CA-C-N 105.614 -5.267 . . . . 0.0 107.658 -178.844 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.3 tt0 -171.88 4.89 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.681 0 C-N-CA 117.806 -1.558 . . . . 0.0 110.121 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.862 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 19.6 m-85 -146.63 -38.05 0.22 Allowed 'General case' 0 CA--C 1.45 -2.871 0 CA-C-O 125.279 2.466 . . . . 0.0 109.682 -176.628 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.957 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.26 -31.87 4.92 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.255 0 CA-C-N 108.725 -3.852 . . . . 0.0 105.852 -176.664 . . . . . . . . 5 4 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.809 HD22 ' HB ' ' A' ' 12' ' ' ILE 0.413 0.0 OUTLIER -116.42 -7.67 11.67 Favored 'General case' 1 N--CA 1.354 -5.255 1 CA-C-N 106.713 -4.767 . . . . 0.0 112.713 -167.594 . . . . . . . . 6 4 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.553 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.3 pt20 -47.05 -32.43 4.03 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.112 -1.403 . . . . 0.0 112.805 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -90.67 -17.89 26.02 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -103.48 -33.95 8.87 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.679 0 CA-C-N 112.165 -2.289 . . . . 0.0 108.115 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.007 0.432 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -130.05 162.13 29.44 Favored 'General case' 0 CA--C 1.48 -1.723 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 174.52 -37.77 0.01 OUTLIER 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.858 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.57 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.281 0 CA-C-N 110.913 -2.858 . . . . 0.0 109.091 -177.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.2 p -89.87 -85.32 0.21 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.648 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.863 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER -55.14 141.52 34.51 Favored 'General case' 0 CA--C 1.44 -3.278 0 CA-C-O 127.11 3.338 . . . . 0.0 117.738 -170.778 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.1 m-85 84.94 135.03 0.05 Allowed 'General case' 1 N--CA 1.357 -5.075 1 CA-C-N 104.141 -5.936 . . . . 0.0 114.386 176.603 . . . . . . . . 5 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.97 51.23 7.43 Favored 'General case' 1 N--CA 1.378 -4.025 1 CA-C-N 105.679 -5.237 . . . . 0.0 107.692 -179.112 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.655 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.34 4.46 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.698 0 C-N-CA 117.772 -1.571 . . . . 0.0 110.348 -175.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.863 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 16.5 m-85 -146.04 -37.82 0.25 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.234 2.445 . . . . 0.0 109.58 -176.526 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.938 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.33 -33.11 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.371 0 CA-C-N 108.785 -3.825 . . . . 0.0 105.762 -176.715 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.43 -7.52 12.28 Favored 'General case' 1 N--CA 1.354 -5.251 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.614 -167.711 . . . . . . . . 6 4 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -44.36 -33.82 1.77 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.525 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -76.14 -22.43 55.46 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.334 -175.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -111.96 -38.61 4.75 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm . . . . . 0 C--O 1.262 1.75 0 CA-C-N 114.275 -1.329 . . . . 0.0 107.915 -179.319 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 . . . . . 0 N--CA 1.408 -2.529 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.838 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -43.94 99.08 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.403 0 CA-C-N 111.526 -2.579 . . . . 0.0 109.613 -177.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.861 -177.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.853 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.446 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.306 0 CA-C-O 127.099 3.333 . . . . 0.0 117.744 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.5 m-85 84.62 135.16 0.05 Allowed 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 104.188 -5.914 . . . . 0.0 114.391 176.575 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.785 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.76 51.35 7.69 Favored 'General case' 1 N--CA 1.378 -4.042 1 CA-C-N 105.666 -5.243 . . . . 0.0 107.815 -178.902 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.664 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.0 tt0 -172.22 4.47 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.673 0 C-N-CA 117.756 -1.578 . . . . 0.0 110.238 -175.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.853 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 20.7 m-85 -146.55 -37.09 0.24 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.178 2.418 . . . . 0.0 109.668 -176.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.946 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.85 -32.45 4.98 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.338 0 CA-C-N 109.009 -3.723 . . . . 0.0 105.631 -176.834 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.788 HD22 ' HB ' ' A' ' 12' ' ' ILE 0.413 0.0 OUTLIER -115.46 -5.12 12.26 Favored 'General case' 1 N--CA 1.355 -5.219 1 CA-C-N 106.321 -4.945 . . . . 0.0 112.521 -167.817 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.555 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.2 pt20 -49.53 -32.72 12.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.711 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -85.05 -19.28 32.2 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.603 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -98.74 -32.48 11.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.262 1.743 0 CA-C-N 112.603 -2.09 . . . . 0.0 108.019 179.363 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 N--CA 1.407 -2.585 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -38.25 98.32 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.209 0 CA-C-N 111.181 -2.736 . . . . 0.0 109.936 -178.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.352 0.675 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.286 -177.355 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.437 0.8 OUTLIER . . . . . 0 CA--C 1.438 -3.343 0 CA-C-O 127.169 3.366 . . . . 0.0 117.772 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 29.9 m-85 84.84 135.15 0.05 Allowed 'General case' 1 N--CA 1.358 -5.065 1 CA-C-N 104.207 -5.906 . . . . 0.0 114.356 176.551 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.786 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.75 51.49 7.58 Favored 'General case' 1 N--CA 1.378 -4.048 1 CA-C-N 105.671 -5.24 . . . . 0.0 107.688 -178.993 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.2 tt0 -172.41 4.29 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.672 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.296 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.865 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.346 18.0 m-85 -146.19 -37.45 0.24 Allowed 'General case' 0 CA--C 1.45 -2.884 0 CA-C-O 125.154 2.407 . . . . 0.0 109.608 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.6 OUTLIER -92.53 -32.78 5.14 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.349 0 CA-C-N 108.854 -3.794 . . . . 0.0 105.77 -176.859 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.6 -6.87 12.21 Favored 'General case' 1 N--CA 1.354 -5.229 1 CA-C-N 106.364 -4.926 . . . . 0.0 112.639 -167.672 . . . . . . . . 6 4 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.553 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.72 -33.31 2.92 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.288 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.82 -23.01 58.39 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.181 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -111.35 -44.38 3.55 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt . . . . . 0 C--O 1.263 1.765 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.075 -179.184 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 . . . . . 0 N--CA 1.413 -2.291 0 N-CA-C 103.242 -2.873 . . . . 0.0 103.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.742 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -47.21 93.95 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.175 0 CA-C-N 110.943 -2.844 . . . . 0.0 110.283 -177.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 CA--C 1.509 -0.603 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.228 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.864 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.414 0 CA-C-O 126.655 3.121 . . . . 0.0 116.234 . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.745 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 29.1 m-85 86.2 134.85 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.869 -5.605 . . . . 0.0 113.926 176.828 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.799 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.1 50.24 8.37 Favored 'General case' 1 N--CA 1.377 -4.087 1 CA-C-N 105.77 -5.196 . . . . 0.0 107.607 -178.735 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -170.33 4.73 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.667 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.242 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.864 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.348 13.7 m-85 -147.2 -38.73 0.2 Allowed 'General case' 0 CA--C 1.448 -2.956 0 CA-C-O 125.3 2.476 . . . . 0.0 109.8 -176.25 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.93 ' H ' HD12 ' A' ' 12' ' ' ILE 0.261 0.6 OUTLIER -91.21 -32.87 5.43 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.418 0 CA-C-N 108.646 -3.888 . . . . 0.0 105.659 -176.685 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.799 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -116.45 -7.23 11.7 Favored 'General case' 1 N--CA 1.353 -5.307 1 CA-C-N 106.387 -4.915 . . . . 0.0 112.601 -167.703 . . . . . . . . 6 4 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.6 pt20 -42.99 -34.74 1.04 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.344 -1.298 . . . . 0.0 112.746 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -73.47 -20.72 60.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.037 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -115.13 -53.81 2.6 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.263 1.796 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.098 179.467 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 . . . . . 0 N--CA 1.413 -2.277 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -49.51 98.05 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 111.019 -2.81 . . . . 0.0 108.986 -177.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 C--N 1.35 0.592 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.579 -177.311 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.874 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.442 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.315 0 CA-C-O 127.04 3.305 . . . . 0.0 117.912 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.5 135.1 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.175 -5.92 . . . . 0.0 114.282 176.603 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.803 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.92 51.33 7.43 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.715 -179.04 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.09 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.773 -1.571 . . . . 0.0 110.248 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 18.7 m-85 -145.47 -37.97 0.26 Allowed 'General case' 0 CA--C 1.447 -2.997 0 CA-C-O 125.052 2.358 . . . . 0.0 109.547 -176.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.36 -33.21 5.36 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.442 0 CA-C-N 108.829 -3.805 . . . . 0.0 105.778 -176.68 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.803 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.12 -4.98 11.91 Favored 'General case' 1 N--CA 1.355 -5.18 1 CA-C-N 106.381 -4.918 . . . . 0.0 112.647 -167.594 . . . . . . . . 6 4 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.566 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.5 pt20 -46.33 -32.79 3.36 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.304 -1.316 . . . . 0.0 112.361 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -84.56 -19.32 33.33 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.071 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.97 -38.96 6.77 Favored 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--O 1.263 1.769 0 CA-C-N 112.428 -2.169 . . . . 0.0 107.981 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.404 -2.732 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -32.48 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 111.257 -2.701 . . . . 0.0 111.037 -177.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.508 -0.672 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.882 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.409 0 CA-C-O 126.722 3.153 . . . . 0.0 116.176 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.739 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.342 30.4 m-85 85.95 134.36 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.265 1 CA-C-N 104.745 -5.662 . . . . 0.0 113.751 176.818 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.81 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.91 50.6 6.67 Favored 'General case' 1 N--CA 1.376 -4.159 1 CA-C-N 105.796 -5.184 . . . . 0.0 107.575 -179.108 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.656 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.6 tt0 -171.29 4.59 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.595 0 C-N-CA 117.835 -1.546 . . . . 0.0 110.141 -175.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.882 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.336 12.8 m-85 -145.41 -39.66 0.24 Allowed 'General case' 0 CA--C 1.449 -2.933 0 CA-C-O 125.224 2.44 . . . . 0.0 109.583 -176.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.963 ' H ' HD12 ' A' ' 12' ' ' ILE 0.268 0.6 OUTLIER -92.41 -33.63 5.6 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.473 0 CA-C-N 108.575 -3.92 . . . . 0.0 106.74 -175.512 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.81 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.411 0.0 OUTLIER -114.42 -10.92 12.56 Favored 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 106.658 -4.792 . . . . 0.0 113.496 -166.825 . . . . . . . . 6 4 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.6 pt20 -48.67 -31.8 7.34 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.503 -1.226 . . . . 0.0 112.174 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 9.1 ptm180 -75.39 -21.49 58.22 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.341 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -114.39 -44.15 3.13 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.381 -1.341 . . . . 0.0 107.381 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.701 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.229 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 . . . . . 0 N--CA 1.412 -2.345 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.873 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.33 98.31 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 111.053 -2.794 . . . . 0.0 109.181 -177.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.068 -1.424 . . . . 0.0 111.529 -177.498 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.873 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.297 0 CA-C-O 127.027 3.298 . . . . 0.0 117.81 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.1 m-85 84.77 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.092 1 CA-C-N 104.222 -5.899 . . . . 0.0 114.397 176.64 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.797 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.31 7.39 Favored 'General case' 1 N--CA 1.379 -4.012 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.717 -179.009 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.34 4.39 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.604 0 C-N-CA 117.768 -1.573 . . . . 0.0 110.264 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.3 m-85 -146.08 -37.65 0.25 Allowed 'General case' 0 CA--C 1.449 -2.94 0 CA-C-O 125.202 2.429 . . . . 0.0 109.62 -176.498 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.941 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.52 -33.11 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.322 0 CA-C-N 108.796 -3.82 . . . . 0.0 105.758 -176.7 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.797 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.414 0.0 OUTLIER -115.38 -7.05 12.33 Favored 'General case' 1 N--CA 1.355 -5.223 1 CA-C-N 106.337 -4.938 . . . . 0.0 112.604 -167.691 . . . . . . . . 6 4 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.558 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.17 -33.25 2.18 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.378 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.58 -22.73 56.71 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.255 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -111.71 -39.43 4.59 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.262 1.73 0 CA-C-N 114.198 -1.365 . . . . 0.0 107.982 -179.342 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 . . . . . 0 N--CA 1.413 -2.282 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.882 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.94 98.18 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.419 0 CA-C-N 111.027 -2.806 . . . . 0.0 109.079 -177.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.349 0.574 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.326 -177.619 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.882 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.44 -3.282 0 CA-C-O 127.129 3.347 . . . . 0.0 117.748 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.752 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.49 135.08 0.05 Allowed 'General case' 1 N--CA 1.357 -5.089 1 CA-C-N 104.12 -5.946 . . . . 0.0 114.313 176.64 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.8 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.42 7.3 Favored 'General case' 1 N--CA 1.377 -4.102 1 CA-C-N 105.644 -5.253 . . . . 0.0 107.756 -179.06 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.38 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.812 -1.555 . . . . 0.0 110.283 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.859 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 18.8 m-85 -145.34 -37.77 0.27 Allowed 'General case' 0 CA--C 1.448 -2.979 0 CA-C-O 125.057 2.361 . . . . 0.0 109.61 -176.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.939 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.5 -33.22 5.34 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.408 0 CA-C-N 108.77 -3.832 . . . . 0.0 105.757 -176.806 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.8 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -115.88 -4.15 12.11 Favored 'General case' 1 N--CA 1.355 -5.224 1 CA-C-N 106.336 -4.938 . . . . 0.0 112.658 -167.639 . . . . . . . . 6 4 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.4 pt20 -47.76 -31.92 5.37 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.106 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -83.0 -19.2 37.45 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.88 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -105.46 -39.86 5.99 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.925 -179.502 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 . . . . . 0 N--CA 1.404 -2.725 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.875 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -35.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 111.321 -2.672 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.352 0.681 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.501 -177.322 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.875 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.313 0 CA-C-O 127.082 3.325 . . . . 0.0 117.862 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.75 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.4 m-85 84.64 135.06 0.05 Allowed 'General case' 1 N--CA 1.357 -5.088 1 CA-C-N 104.189 -5.914 . . . . 0.0 114.422 176.621 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.791 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.91 51.11 7.65 Favored 'General case' 1 N--CA 1.379 -4.017 1 CA-C-N 105.692 -5.231 . . . . 0.0 107.669 -179.016 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.14 4.64 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.662 0 C-N-CA 117.794 -1.562 . . . . 0.0 110.28 -175.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 17.8 m-85 -146.05 -38.1 0.24 Allowed 'General case' 0 CA--C 1.45 -2.875 0 CA-C-O 125.227 2.441 . . . . 0.0 109.462 -176.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.947 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.16 -32.96 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.336 0 CA-C-N 108.722 -3.854 . . . . 0.0 105.825 -176.671 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.791 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.52 -7.05 12.25 Favored 'General case' 1 N--CA 1.355 -5.189 1 CA-C-N 106.448 -4.887 . . . . 0.0 112.725 -167.63 . . . . . . . . 6 4 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -46.75 -33.11 4.09 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.362 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -83.51 -18.33 38.83 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.065 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -105.83 -38.9 6.21 Favored 'General case' 0 CA--C 1.473 -2.004 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt . . . . . 0 C--O 1.262 1.728 0 CA-C-N 112.468 -2.151 . . . . 0.0 107.968 -179.671 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 . . . . . 0 N--CA 1.407 -2.583 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -35.75 99.23 0.02 OUTLIER 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 111.095 -2.775 . . . . 0.0 110.123 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.351 0.651 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.324 -177.479 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.873 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.321 0 CA-C-O 127.14 3.353 . . . . 0.0 117.75 . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.5 m-85 84.63 134.87 0.05 Allowed 'General case' 1 N--CA 1.356 -5.125 1 CA-C-N 104.187 -5.915 . . . . 0.0 114.372 176.547 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.41 51.2 6.83 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.645 -5.252 . . . . 0.0 107.824 -179.067 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.2 tt0 -172.5 4.14 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.649 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.294 -175.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.873 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 17.0 m-85 -144.96 -38.29 0.27 Allowed 'General case' 0 CA--C 1.449 -2.919 0 CA-C-O 125.077 2.37 . . . . 0.0 109.487 -176.336 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.949 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.9 -33.46 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.344 0 CA-C-N 108.695 -3.866 . . . . 0.0 106.303 -176.251 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.99 -5.76 12.52 Favored 'General case' 1 N--CA 1.356 -5.131 1 CA-C-N 106.424 -4.898 . . . . 0.0 113.053 -167.14 . . . . . . . . 6 4 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.589 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.6 pt20 -51.4 -30.02 17.72 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.78 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -85.59 -19.3 31.26 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.936 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.5 -36.24 8.04 Favored 'General case' 0 CA--C 1.471 -2.095 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.261 1.69 0 CA-C-N 112.164 -2.289 . . . . 0.0 108.185 -179.353 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 . . . . . 0 N--CA 1.412 -2.325 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.726 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -50.02 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 111.025 -2.807 . . . . 0.0 109.802 -177.199 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.871 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.424 0.5 OUTLIER . . . . . 0 CA--C 1.436 -3.433 0 CA-C-O 126.679 3.133 . . . . 0.0 116.233 . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.744 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 30.4 m-85 85.99 134.47 0.05 OUTLIER 'General case' 1 N--CA 1.355 -5.202 1 CA-C-N 104.782 -5.645 . . . . 0.0 113.745 176.769 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.81 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.58 50.72 7.05 Favored 'General case' 1 N--CA 1.376 -4.152 1 CA-C-N 105.742 -5.208 . . . . 0.0 107.583 -179.003 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.0 tt0 -171.16 4.59 0.02 OUTLIER 'General case' 0 N--CA 1.387 -3.599 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.167 -175.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.871 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 14.3 m-85 -145.72 -39.83 0.23 Allowed 'General case' 0 CA--C 1.45 -2.887 0 CA-C-O 125.386 2.517 . . . . 0.0 109.496 -176.1 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.22 -32.97 5.26 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.441 0 CA-C-N 108.488 -3.96 . . . . 0.0 106.626 -175.524 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.81 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.14 -11.66 12.0 Favored 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 106.78 -4.736 . . . . 0.0 113.587 -166.825 . . . . . . . . 6 4 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.574 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.7 pt20 -47.98 -32.87 7.04 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.489 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 19.1 ptp180 -77.19 -21.64 53.62 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.356 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -110.89 -44.71 3.57 Favored 'General case' 0 CA--C 1.481 -1.691 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.261 1.707 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.061 -179.27 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 . . . . . 0 N--CA 1.404 -2.741 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.892 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.2 mt -33.6 99.0 0.01 OUTLIER 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 111.252 -2.704 . . . . 0.0 110.331 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.353 0.739 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.432 -177.485 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.892 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.439 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.319 0 CA-C-O 127.103 3.335 . . . . 0.0 117.755 . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.6 m-85 84.65 134.9 0.05 Allowed 'General case' 1 N--CA 1.357 -5.12 1 CA-C-N 104.209 -5.905 . . . . 0.0 114.424 176.639 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.23 51.32 6.99 Favored 'General case' 1 N--CA 1.378 -4.039 1 CA-C-N 105.682 -5.235 . . . . 0.0 107.69 -179.124 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.5 tt0 -172.65 4.8 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 117.69 -1.604 . . . . 0.0 110.208 -175.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.872 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 16.9 m-85 -146.03 -37.84 0.25 Allowed 'General case' 0 CA--C 1.45 -2.876 0 CA-C-O 125.234 2.445 . . . . 0.0 109.602 -176.541 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.952 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.97 -33.47 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.409 0 CA-C-N 108.802 -3.817 . . . . 0.0 106.097 -176.299 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.42 -8.03 12.84 Favored 'General case' 1 N--CA 1.356 -5.162 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.857 -167.367 . . . . . . . . 6 4 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.21 -31.45 5.81 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.018 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -75.81 -22.73 56.05 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.236 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -112.49 -45.31 3.26 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.262 1.717 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.146 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 N--CA 1.403 -2.781 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.884 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -35.23 98.59 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.279 -2.691 . . . . 0.0 110.252 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.353 0.747 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.273 -177.435 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.884 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.437 -3.369 0 CA-C-O 127.101 3.334 . . . . 0.0 117.84 . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.75 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.4 m-85 84.56 135.12 0.05 Allowed 'General case' 1 N--CA 1.357 -5.112 1 CA-C-N 104.23 -5.895 . . . . 0.0 114.372 176.67 . . . . . . . . 5 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 51.2 7.38 Favored 'General case' 1 N--CA 1.378 -4.028 1 CA-C-N 105.685 -5.234 . . . . 0.0 107.701 -179.077 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.35 4.5 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.668 0 C-N-CA 117.837 -1.545 . . . . 0.0 110.305 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.4 m-85 -146.0 -37.79 0.25 Allowed 'General case' 0 CA--C 1.45 -2.904 0 CA-C-O 125.164 2.412 . . . . 0.0 109.533 -176.461 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.945 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.59 -33.23 5.33 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.42 0 CA-C-N 108.833 -3.803 . . . . 0.0 105.884 -176.632 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.02 -6.92 12.55 Favored 'General case' 1 N--CA 1.356 -5.164 1 CA-C-N 106.367 -4.924 . . . . 0.0 112.692 -167.615 . . . . . . . . 6 4 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.561 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.85 -31.95 3.42 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.208 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.87 -23.3 58.38 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.042 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -111.15 -45.69 3.4 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt . . . . . 0 C--O 1.262 1.716 0 CA-C-N 113.731 -1.577 . . . . 0.0 108.12 -179.403 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 . . . . . 0 N--CA 1.413 -2.306 0 N-CA-C 103.236 -2.876 . . . . 0.0 103.236 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.733 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -49.42 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 111.011 -2.813 . . . . 0.0 109.836 -177.288 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.868 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.421 0.5 OUTLIER . . . . . 0 CA--C 1.435 -3.458 0 CA-C-O 126.756 3.169 . . . . 0.0 116.098 . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.745 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.34 29.6 m-85 85.82 134.51 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.254 1 CA-C-N 104.675 -5.693 . . . . 0.0 113.72 176.822 . . . . . . . . 5 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.804 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.63 50.77 6.91 Favored 'General case' 1 N--CA 1.375 -4.181 1 CA-C-N 105.718 -5.219 . . . . 0.0 107.632 -178.937 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.4 tt0 -171.07 4.07 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.665 0 C-N-CA 117.899 -1.52 . . . . 0.0 110.228 -175.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.345 14.1 m-85 -145.88 -38.7 0.24 Allowed 'General case' 0 CA--C 1.447 -2.991 0 CA-C-O 125.134 2.397 . . . . 0.0 109.699 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.934 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.35 -33.41 5.48 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.444 0 CA-C-N 108.677 -3.874 . . . . 0.0 106.082 -176.132 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.804 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.415 0.0 OUTLIER -115.52 -6.57 12.25 Favored 'General case' 1 N--CA 1.356 -5.135 1 CA-C-N 106.559 -4.837 . . . . 0.0 113.014 -167.214 . . . . . . . . 6 4 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.4 pt20 -47.44 -31.38 4.11 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.079 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.65 -23.59 58.69 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.988 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -111.04 -46.26 3.35 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt . . . . . 0 C--O 1.262 1.72 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.17 -179.212 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 . . . . . 0 N--CA 1.413 -2.289 0 N-CA-C 103.223 -2.88 . . . . 0.0 103.223 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.863 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.72 98.75 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 CA-C-N 111.078 -2.783 . . . . 0.0 109.14 -177.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.35 0.598 0 CA-C-N 114.077 -1.419 . . . . 0.0 111.715 -177.367 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.882 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.315 0 CA-C-O 127.188 3.375 . . . . 0.0 117.68 . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.762 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.0 m-85 84.3 135.07 0.05 Allowed 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.007 -5.997 . . . . 0.0 114.332 176.712 . . . . . . . . 5 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.823 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 52.65 6.13 Favored 'General case' 1 N--CA 1.376 -4.148 1 CA-C-N 105.588 -5.278 . . . . 0.0 107.988 -178.956 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.657 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.9 tt0 -173.38 1.02 0.01 OUTLIER 'General case' 0 N--CA 1.389 -3.493 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.59 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.882 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.333 17.5 m-85 -141.02 -40.09 0.4 Allowed 'General case' 0 CA--C 1.449 -2.925 0 CA-C-O 125.496 2.569 . . . . 0.0 109.088 -175.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.93 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.5 OUTLIER -90.99 -33.32 5.72 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.497 1 CA-C-N 108.176 -4.102 . . . . 0.0 105.12 -177.492 . . . . . . . . 6 4 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.823 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.406 0.0 OUTLIER -118.79 59.75 0.82 Allowed 'General case' 1 N--CA 1.345 -5.715 1 CA-C-N 106.517 -4.856 . . . . 0.0 110.438 -168.271 . . . . . . . . 6 4 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -137.94 -32.7 0.73 Allowed 'General case' 0 C--N 1.283 -2.298 0 CA-C-N 113.489 -1.687 . . . . 0.0 108.687 -178.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -87.65 -19.94 27.01 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.287 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -102.7 -28.61 12.01 Favored 'General case' 0 CA--C 1.473 -1.987 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.703 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.241 -179.487 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.77 97.75 0.01 OUTLIER 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 111.117 -2.765 . . . . 0.0 108.855 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 C--N 1.35 0.63 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.597 -177.178 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.869 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.438 -3.335 0 CA-C-O 127.103 3.335 . . . . 0.0 117.81 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.62 134.91 0.05 Allowed 'General case' 1 N--CA 1.357 -5.106 1 CA-C-N 104.159 -5.928 . . . . 0.0 114.332 176.663 . . . . . . . . 5 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.27 51.21 7.03 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 105.675 -5.239 . . . . 0.0 107.754 -179.154 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.46 4.78 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.758 -1.577 . . . . 0.0 110.246 -175.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.9 m-85 -146.16 -37.79 0.24 Allowed 'General case' 0 CA--C 1.45 -2.901 0 CA-C-O 125.207 2.432 . . . . 0.0 109.604 -176.541 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.89 -33.07 5.17 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.319 0 CA-C-N 108.815 -3.811 . . . . 0.0 106.078 -176.439 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -114.92 -8.29 12.53 Favored 'General case' 1 N--CA 1.356 -5.168 1 CA-C-N 106.441 -4.891 . . . . 0.0 112.724 -167.472 . . . . . . . . 6 4 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.94 -31.7 3.33 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.329 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -78.31 -20.84 50.66 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.565 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -114.99 -38.84 3.79 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.672 0 CA-C-N 113.927 -1.488 . . . . 0.0 108.096 -179.194 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 . . . . . 0 N--CA 1.41 -2.438 0 N-CA-C 103.131 -2.915 . . . . 0.0 103.131 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.73 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.341 0 CA-C-N 111.027 -2.806 . . . . 0.0 108.906 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.349 0.577 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.379 -177.373 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.312 0 CA-C-O 127.054 3.311 . . . . 0.0 117.767 . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.2 m-85 84.75 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 104.134 -5.939 . . . . 0.0 114.382 176.626 . . . . . . . . 5 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.87 51.36 7.5 Favored 'General case' 1 N--CA 1.378 -4.073 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.683 -179.045 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.41 4.41 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.634 0 C-N-CA 117.839 -1.544 . . . . 0.0 110.332 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.867 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 17.8 m-85 -146.01 -37.62 0.25 Allowed 'General case' 0 CA--C 1.449 -2.906 0 CA-C-O 125.167 2.413 . . . . 0.0 109.619 -176.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.939 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.56 -33.14 5.29 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.378 0 CA-C-N 108.792 -3.822 . . . . 0.0 105.823 -176.789 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.07 -5.78 12.48 Favored 'General case' 1 N--CA 1.355 -5.203 1 CA-C-N 106.375 -4.92 . . . . 0.0 112.712 -167.624 . . . . . . . . 6 4 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.1 pt20 -48.99 -31.94 8.31 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -85.12 -19.08 32.38 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.689 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -100.97 -36.46 9.02 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 113.007 -1.906 . . . . 0.0 108.202 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 N--CA 1.404 -2.75 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.891 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -33.57 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 111.291 -2.686 . . . . 0.0 110.385 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.352 0.683 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.38 -177.473 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.891 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.436 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.319 0 CA-C-O 127.098 3.333 . . . . 0.0 117.713 . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.69 134.85 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.158 -5.928 . . . . 0.0 114.366 176.623 . . . . . . . . 5 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.784 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.35 50.99 7.09 Favored 'General case' 1 N--CA 1.378 -4.061 1 CA-C-N 105.705 -5.225 . . . . 0.0 107.743 -179.196 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.659 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.6 tt0 -172.42 4.95 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.701 -1.6 . . . . 0.0 110.22 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.873 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.5 m-85 -146.09 -37.78 0.24 Allowed 'General case' 0 CA--C 1.45 -2.895 0 CA-C-O 125.302 2.477 . . . . 0.0 109.598 -176.552 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.954 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -93.07 -33.38 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.388 0 CA-C-N 108.847 -3.797 . . . . 0.0 106.182 -176.3 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.784 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.3 -8.51 12.89 Favored 'General case' 1 N--CA 1.356 -5.128 1 CA-C-N 106.447 -4.888 . . . . 0.0 112.819 -167.435 . . . . . . . . 6 4 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.576 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.23 -30.76 5.04 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.005 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -76.71 -21.03 55.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.508 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -117.11 -40.96 3.05 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.262 1.722 0 CA-C-N 113.847 -1.524 . . . . 0.0 108.231 -179.066 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 . . . . . 0 N--CA 1.414 -2.234 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.885 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -48.35 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 111.037 -2.801 . . . . 0.0 109.215 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.351 0.645 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.498 -177.606 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.885 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.441 0.8 OUTLIER . . . . . 0 CA--C 1.439 -3.309 0 CA-C-O 127.101 3.334 . . . . 0.0 117.78 . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.353 30.0 m-85 84.8 135.32 0.05 Allowed 'General case' 1 N--CA 1.357 -5.117 1 CA-C-N 104.208 -5.905 . . . . 0.0 114.425 176.594 . . . . . . . . 5 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.807 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.67 51.21 7.98 Favored 'General case' 0 N--CA 1.379 -3.995 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.829 -178.864 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.654 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.01 3.82 0.01 OUTLIER 'General case' 0 N--CA 1.388 -3.552 0 C-N-CA 117.796 -1.561 . . . . 0.0 110.333 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.864 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.34 18.6 m-85 -145.11 -38.27 0.27 Allowed 'General case' 0 CA--C 1.447 -3.0 0 CA-C-O 125.031 2.348 . . . . 0.0 109.537 -176.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.946 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -91.86 -33.4 5.58 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.403 0 CA-C-N 108.68 -3.873 . . . . 0.0 105.702 -176.895 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.807 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.46 -4.06 11.82 Favored 'General case' 1 N--CA 1.354 -5.236 1 CA-C-N 106.325 -4.943 . . . . 0.0 112.623 -167.669 . . . . . . . . 6 4 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.1 pt20 -44.56 -33.25 1.7 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.409 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -74.25 -20.83 60.02 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.051 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -115.59 -53.47 2.59 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--O 1.262 1.718 0 CA-C-N 114.198 -1.364 . . . . 0.0 109.159 179.25 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 . . . . . 0 N--CA 1.411 -2.419 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.867 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -45.85 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.245 -177.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.349 0.556 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.982 -177.62 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.867 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.443 0.8 OUTLIER . . . . . 0 CA--C 1.441 -3.244 0 CA-C-O 126.993 3.282 . . . . 0.0 117.8 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.356 31.5 m-85 85.32 134.74 0.05 OUTLIER 'General case' 1 N--CA 1.36 -4.936 1 CA-C-N 104.378 -5.828 . . . . 0.0 114.594 176.46 . . . . . . . . 5 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.53 51.32 8.11 Favored 'General case' 0 N--CA 1.38 -3.926 1 CA-C-N 105.614 -5.267 . . . . 0.0 107.658 -178.844 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.3 tt0 -171.88 4.89 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.681 0 C-N-CA 117.806 -1.558 . . . . 0.0 110.121 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.862 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 19.6 m-85 -146.63 -38.05 0.22 Allowed 'General case' 0 CA--C 1.45 -2.871 0 CA-C-O 125.279 2.466 . . . . 0.0 109.682 -176.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.957 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.26 -31.87 4.92 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.255 0 CA-C-N 108.725 -3.852 . . . . 0.0 105.852 -176.664 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.809 HD22 ' HB ' ' A' ' 12' ' ' ILE 0.413 0.0 OUTLIER -116.42 -7.67 11.67 Favored 'General case' 1 N--CA 1.354 -5.255 1 CA-C-N 106.713 -4.767 . . . . 0.0 112.713 -167.594 . . . . . . . . 6 4 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.553 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.3 pt20 -47.05 -32.43 4.03 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.112 -1.403 . . . . 0.0 112.805 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -90.67 -17.89 26.02 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -103.48 -33.95 8.87 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.679 0 CA-C-N 112.165 -2.289 . . . . 0.0 108.115 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 . . . . . 0 N--CA 1.411 -2.377 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.858 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.57 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.281 0 CA-C-N 110.913 -2.858 . . . . 0.0 109.091 -177.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.35 0.626 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.648 -177.452 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.863 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER . . . . . 0 CA--C 1.44 -3.278 0 CA-C-O 127.11 3.338 . . . . 0.0 117.738 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.1 m-85 84.94 135.03 0.05 Allowed 'General case' 1 N--CA 1.357 -5.075 1 CA-C-N 104.141 -5.936 . . . . 0.0 114.386 176.603 . . . . . . . . 5 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.97 51.23 7.43 Favored 'General case' 1 N--CA 1.378 -4.025 1 CA-C-N 105.679 -5.237 . . . . 0.0 107.692 -179.112 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.655 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.34 4.46 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.698 0 C-N-CA 117.772 -1.571 . . . . 0.0 110.348 -175.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.863 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 16.5 m-85 -146.04 -37.82 0.25 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.234 2.445 . . . . 0.0 109.58 -176.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.938 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.33 -33.11 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.371 0 CA-C-N 108.785 -3.825 . . . . 0.0 105.762 -176.715 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.43 -7.52 12.28 Favored 'General case' 1 N--CA 1.354 -5.251 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.614 -167.711 . . . . . . . . 6 4 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -44.36 -33.82 1.77 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.525 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -76.14 -22.43 55.46 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.334 -175.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -111.96 -38.61 4.75 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm . . . . . 0 C--O 1.262 1.75 0 CA-C-N 114.275 -1.329 . . . . 0.0 107.915 -179.319 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.9 mmt -113.66 119.28 36.91 Favored 'General case' 0 CA--C 1.47 -2.128 0 CA-C-O 122.532 1.158 . . . . 0.0 108.413 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -102.22 -36.43 8.51 Favored 'General case' 0 N--CA 1.408 -2.529 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.838 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -43.94 99.08 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.403 0 CA-C-N 111.526 -2.579 . . . . 0.0 109.613 -177.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 7' ' ' PHE . 3.7 p -99.7 -81.03 0.46 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.861 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.853 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.446 0.8 OUTLIER -55.37 141.7 35.14 Favored 'General case' 0 CA--C 1.439 -3.306 0 CA-C-O 127.099 3.333 . . . . 0.0 117.744 -170.803 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.5 m-85 84.62 135.16 0.05 Allowed 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 104.188 -5.914 . . . . 0.0 114.391 176.575 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.785 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.76 51.35 7.69 Favored 'General case' 1 N--CA 1.378 -4.042 1 CA-C-N 105.666 -5.243 . . . . 0.0 107.815 -178.902 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.664 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.0 tt0 -172.22 4.47 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.673 0 C-N-CA 117.756 -1.578 . . . . 0.0 110.238 -175.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.853 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 20.7 m-85 -146.55 -37.09 0.24 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.178 2.418 . . . . 0.0 109.668 -176.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.946 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.85 -32.45 4.98 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.338 0 CA-C-N 109.009 -3.723 . . . . 0.0 105.631 -176.834 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.788 HD22 ' HB ' ' A' ' 12' ' ' ILE 0.413 0.0 OUTLIER -115.46 -5.12 12.26 Favored 'General case' 1 N--CA 1.355 -5.219 1 CA-C-N 106.321 -4.945 . . . . 0.0 112.521 -167.817 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.555 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.2 pt20 -49.53 -32.72 12.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.711 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -85.05 -19.28 32.2 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.603 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -98.74 -32.48 11.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt . . . . . 0 C--O 1.262 1.743 0 CA-C-N 112.603 -2.09 . . . . 0.0 108.019 179.363 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.913 0.387 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 mmt -104.34 120.66 41.7 Favored 'General case' 0 CA--C 1.468 -2.204 0 CA-C-O 122.599 1.19 . . . . 0.0 108.491 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -95.11 -38.97 10.36 Favored 'General case' 0 N--CA 1.407 -2.585 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -38.25 98.32 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.209 0 CA-C-N 111.181 -2.736 . . . . 0.0 109.936 -178.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 7' ' ' PHE . 23.0 t -94.24 -81.5 0.38 Allowed 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.286 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.437 0.8 OUTLIER -55.3 141.67 34.83 Favored 'General case' 0 CA--C 1.438 -3.343 0 CA-C-O 127.169 3.366 . . . . 0.0 117.772 -170.829 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 29.9 m-85 84.84 135.15 0.05 Allowed 'General case' 1 N--CA 1.358 -5.065 1 CA-C-N 104.207 -5.906 . . . . 0.0 114.356 176.551 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.786 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.75 51.49 7.58 Favored 'General case' 1 N--CA 1.378 -4.048 1 CA-C-N 105.671 -5.24 . . . . 0.0 107.688 -178.993 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.2 tt0 -172.41 4.29 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.672 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.296 -175.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.865 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.346 18.0 m-85 -146.19 -37.45 0.24 Allowed 'General case' 0 CA--C 1.45 -2.884 0 CA-C-O 125.154 2.407 . . . . 0.0 109.608 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.6 OUTLIER -92.53 -32.78 5.14 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.349 0 CA-C-N 108.854 -3.794 . . . . 0.0 105.77 -176.859 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.6 -6.87 12.21 Favored 'General case' 1 N--CA 1.354 -5.229 1 CA-C-N 106.364 -4.926 . . . . 0.0 112.639 -167.672 . . . . . . . . 6 4 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.553 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.72 -33.31 2.92 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.288 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -74.82 -23.01 58.39 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.181 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -111.35 -44.38 3.55 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt . . . . . 0 C--O 1.263 1.765 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.075 -179.184 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mmm -129.89 162.45 28.55 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 172.74 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 103.242 -2.873 . . . . 0.0 103.242 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.742 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -47.21 93.95 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.175 0 CA-C-N 110.943 -2.844 . . . . 0.0 110.283 -177.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -113.74 138.66 49.94 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.864 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER -56.33 140.99 43.42 Favored 'General case' 0 CA--C 1.436 -3.414 0 CA-C-O 126.655 3.121 . . . . 0.0 116.234 -172.591 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.745 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 29.1 m-85 86.2 134.85 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.869 -5.605 . . . . 0.0 113.926 176.828 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.799 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.1 50.24 8.37 Favored 'General case' 1 N--CA 1.377 -4.087 1 CA-C-N 105.77 -5.196 . . . . 0.0 107.607 -178.735 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -170.33 4.73 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.667 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.242 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.864 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.348 13.7 m-85 -147.2 -38.73 0.2 Allowed 'General case' 0 CA--C 1.448 -2.956 0 CA-C-O 125.3 2.476 . . . . 0.0 109.8 -176.25 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.93 ' H ' HD12 ' A' ' 12' ' ' ILE 0.261 0.6 OUTLIER -91.21 -32.87 5.43 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.418 0 CA-C-N 108.646 -3.888 . . . . 0.0 105.659 -176.685 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.799 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -116.45 -7.23 11.7 Favored 'General case' 1 N--CA 1.353 -5.307 1 CA-C-N 106.387 -4.915 . . . . 0.0 112.601 -167.703 . . . . . . . . 6 4 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.6 pt20 -42.99 -34.74 1.04 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.344 -1.298 . . . . 0.0 112.746 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -73.47 -20.72 60.62 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.037 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -115.13 -53.81 2.6 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt . . . . . 0 C--O 1.263 1.796 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.098 179.467 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.052 0.453 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.9 mtt -134.21 162.43 32.18 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 173.0 -37.12 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -49.51 98.05 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 111.019 -2.81 . . . . 0.0 108.986 -177.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 7' ' ' PHE . 73.3 m -93.87 -80.42 0.39 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.579 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.874 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.442 0.8 OUTLIER -55.11 141.73 33.5 Favored 'General case' 0 CA--C 1.439 -3.315 0 CA-C-O 127.04 3.305 . . . . 0.0 117.912 -170.878 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.5 135.1 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.175 -5.92 . . . . 0.0 114.282 176.603 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.803 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.92 51.33 7.43 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.715 -179.04 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.09 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.773 -1.571 . . . . 0.0 110.248 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 18.7 m-85 -145.47 -37.97 0.26 Allowed 'General case' 0 CA--C 1.447 -2.997 0 CA-C-O 125.052 2.358 . . . . 0.0 109.547 -176.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.36 -33.21 5.36 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.442 0 CA-C-N 108.829 -3.805 . . . . 0.0 105.778 -176.68 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.803 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.12 -4.98 11.91 Favored 'General case' 1 N--CA 1.355 -5.18 1 CA-C-N 106.381 -4.918 . . . . 0.0 112.647 -167.594 . . . . . . . . 6 4 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.566 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.5 pt20 -46.33 -32.79 3.36 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.304 -1.316 . . . . 0.0 112.361 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -84.56 -19.32 33.33 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.071 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.97 -38.96 6.77 Favored 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp . . . . . 0 C--O 1.263 1.769 0 CA-C-N 112.428 -2.169 . . . . 0.0 107.981 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.124 0.487 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 96.6 mmm -99.37 105.37 17.33 Favored 'General case' 0 CA--C 1.466 -2.267 0 CA-C-O 122.287 1.041 . . . . 0.0 108.308 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -75.26 -41.99 56.1 Favored 'General case' 0 N--CA 1.404 -2.732 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -32.48 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 111.257 -2.701 . . . . 0.0 111.037 -177.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -118.08 133.42 55.92 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.882 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.422 0.5 OUTLIER -55.42 140.75 38.99 Favored 'General case' 0 CA--C 1.436 -3.409 0 CA-C-O 126.722 3.153 . . . . 0.0 116.176 -172.601 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.739 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.342 30.4 m-85 85.95 134.36 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.265 1 CA-C-N 104.745 -5.662 . . . . 0.0 113.751 176.818 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.81 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.91 50.6 6.67 Favored 'General case' 1 N--CA 1.376 -4.159 1 CA-C-N 105.796 -5.184 . . . . 0.0 107.575 -179.108 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.656 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.6 tt0 -171.29 4.59 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.595 0 C-N-CA 117.835 -1.546 . . . . 0.0 110.141 -175.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.882 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.336 12.8 m-85 -145.41 -39.66 0.24 Allowed 'General case' 0 CA--C 1.449 -2.933 0 CA-C-O 125.224 2.44 . . . . 0.0 109.583 -176.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.963 ' H ' HD12 ' A' ' 12' ' ' ILE 0.268 0.6 OUTLIER -92.41 -33.63 5.6 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.473 0 CA-C-N 108.575 -3.92 . . . . 0.0 106.74 -175.512 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.411 0.0 OUTLIER -114.42 -10.92 12.56 Favored 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 106.658 -4.792 . . . . 0.0 113.496 -166.825 . . . . . . . . 6 4 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.6 pt20 -48.67 -31.8 7.34 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.503 -1.226 . . . . 0.0 112.174 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 9.1 ptm180 -75.39 -21.49 58.22 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.341 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -114.39 -44.15 3.13 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.381 -1.341 . . . . 0.0 107.381 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.701 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.229 -179.088 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 121.094 0.473 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.5 mtm -134.02 162.47 31.99 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 173.34 -37.27 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.345 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.873 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.33 98.31 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 111.053 -2.794 . . . . 0.0 109.181 -177.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.3 p -91.45 -84.44 0.26 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.068 -1.424 . . . . 0.0 111.529 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.873 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER -55.09 141.5 34.28 Favored 'General case' 0 CA--C 1.439 -3.297 0 CA-C-O 127.027 3.298 . . . . 0.0 117.81 -170.86 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.749 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.1 m-85 84.77 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.092 1 CA-C-N 104.222 -5.899 . . . . 0.0 114.397 176.64 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.797 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.31 7.39 Favored 'General case' 1 N--CA 1.379 -4.012 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.717 -179.009 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.34 4.39 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.604 0 C-N-CA 117.768 -1.573 . . . . 0.0 110.264 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.3 m-85 -146.08 -37.65 0.25 Allowed 'General case' 0 CA--C 1.449 -2.94 0 CA-C-O 125.202 2.429 . . . . 0.0 109.62 -176.498 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.941 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.52 -33.11 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.322 0 CA-C-N 108.796 -3.82 . . . . 0.0 105.758 -176.7 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.797 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.414 0.0 OUTLIER -115.38 -7.05 12.33 Favored 'General case' 1 N--CA 1.355 -5.223 1 CA-C-N 106.337 -4.938 . . . . 0.0 112.604 -167.691 . . . . . . . . 6 4 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.558 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -45.17 -33.25 2.18 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.378 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.58 -22.73 56.71 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.255 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -111.71 -39.43 4.59 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp . . . . . 0 C--O 1.262 1.73 0 CA-C-N 114.198 -1.365 . . . . 0.0 107.982 -179.342 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.773 0.321 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.8 mmm -129.16 161.92 28.97 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 172.38 -36.56 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.882 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.94 98.18 0.02 OUTLIER 'General case' 0 N--CA 1.411 -2.419 0 CA-C-N 111.027 -2.806 . . . . 0.0 109.079 -177.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 7' ' ' PHE . 23.2 t -92.86 -82.28 0.33 Allowed 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.326 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.882 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.439 0.8 OUTLIER -55.28 141.78 34.32 Favored 'General case' 0 CA--C 1.44 -3.282 0 CA-C-O 127.129 3.347 . . . . 0.0 117.748 -170.776 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.752 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.1 m-85 84.49 135.08 0.05 Allowed 'General case' 1 N--CA 1.357 -5.089 1 CA-C-N 104.12 -5.946 . . . . 0.0 114.313 176.64 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.8 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.96 51.42 7.3 Favored 'General case' 1 N--CA 1.377 -4.102 1 CA-C-N 105.644 -5.253 . . . . 0.0 107.756 -179.06 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.38 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.639 0 C-N-CA 117.812 -1.555 . . . . 0.0 110.283 -175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.859 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 18.8 m-85 -145.34 -37.77 0.27 Allowed 'General case' 0 CA--C 1.448 -2.979 0 CA-C-O 125.057 2.361 . . . . 0.0 109.61 -176.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.939 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.5 -33.22 5.34 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.408 0 CA-C-N 108.77 -3.832 . . . . 0.0 105.757 -176.806 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.8 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.416 0.0 OUTLIER -115.88 -4.15 12.11 Favored 'General case' 1 N--CA 1.355 -5.224 1 CA-C-N 106.336 -4.938 . . . . 0.0 112.658 -167.639 . . . . . . . . 6 4 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.4 pt20 -47.76 -31.92 5.37 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.106 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -83.0 -19.2 37.45 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.88 -175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -105.46 -39.86 5.99 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.925 -179.502 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.883 0.373 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.8 mtp -103.73 106.6 17.15 Favored 'General case' 0 CA--C 1.465 -2.323 0 CA-C-O 122.394 1.092 . . . . 0.0 108.508 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -74.99 -41.73 58.92 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.875 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -35.69 97.98 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 111.321 -2.672 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 7' ' ' PHE . 74.7 m -94.38 -80.33 0.4 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.501 -177.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.875 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.436 0.8 OUTLIER -55.06 141.73 33.25 Favored 'General case' 0 CA--C 1.439 -3.313 0 CA-C-O 127.082 3.325 . . . . 0.0 117.862 -170.877 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.75 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.4 m-85 84.64 135.06 0.05 Allowed 'General case' 1 N--CA 1.357 -5.088 1 CA-C-N 104.189 -5.914 . . . . 0.0 114.422 176.621 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.791 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.91 51.11 7.65 Favored 'General case' 1 N--CA 1.379 -4.017 1 CA-C-N 105.692 -5.231 . . . . 0.0 107.669 -179.016 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.14 4.64 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.662 0 C-N-CA 117.794 -1.562 . . . . 0.0 110.28 -175.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 17.8 m-85 -146.05 -38.1 0.24 Allowed 'General case' 0 CA--C 1.45 -2.875 0 CA-C-O 125.227 2.441 . . . . 0.0 109.462 -176.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.947 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.16 -32.96 5.27 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.336 0 CA-C-N 108.722 -3.854 . . . . 0.0 105.825 -176.671 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.791 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.52 -7.05 12.25 Favored 'General case' 1 N--CA 1.355 -5.189 1 CA-C-N 106.448 -4.887 . . . . 0.0 112.725 -167.63 . . . . . . . . 6 4 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -46.75 -33.11 4.09 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.362 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -83.51 -18.33 38.83 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.065 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -105.83 -38.9 6.21 Favored 'General case' 0 CA--C 1.473 -2.004 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt . . . . . 0 C--O 1.262 1.728 0 CA-C-N 112.468 -2.151 . . . . 0.0 107.968 -179.671 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.898 0.38 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.0 mtp -109.01 123.78 49.67 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 122.677 1.227 . . . . 0.0 108.513 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -95.69 -39.71 9.75 Favored 'General case' 0 N--CA 1.407 -2.583 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -35.75 99.23 0.02 OUTLIER 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 111.095 -2.775 . . . . 0.0 110.123 -178.398 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.0 p -93.63 -83.85 0.32 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.324 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.873 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.439 0.8 OUTLIER -54.77 141.46 32.6 Favored 'General case' 0 CA--C 1.439 -3.321 0 CA-C-O 127.14 3.353 . . . . 0.0 117.75 -170.82 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.35 30.5 m-85 84.63 134.87 0.05 Allowed 'General case' 1 N--CA 1.356 -5.125 1 CA-C-N 104.187 -5.915 . . . . 0.0 114.372 176.547 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.41 51.2 6.83 Favored 'General case' 1 N--CA 1.378 -4.057 1 CA-C-N 105.645 -5.252 . . . . 0.0 107.824 -179.067 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.2 tt0 -172.5 4.14 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.649 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.294 -175.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.873 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 17.0 m-85 -144.96 -38.29 0.27 Allowed 'General case' 0 CA--C 1.449 -2.919 0 CA-C-O 125.077 2.37 . . . . 0.0 109.487 -176.336 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.949 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.9 -33.46 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.344 0 CA-C-N 108.695 -3.866 . . . . 0.0 106.303 -176.251 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.99 -5.76 12.52 Favored 'General case' 1 N--CA 1.356 -5.131 1 CA-C-N 106.424 -4.898 . . . . 0.0 113.053 -167.14 . . . . . . . . 6 4 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.589 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.6 pt20 -51.4 -30.02 17.72 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.356 -1.293 . . . . 0.0 111.78 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -85.59 -19.3 31.26 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.936 -175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -103.5 -36.24 8.04 Favored 'General case' 0 CA--C 1.471 -2.095 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--O 1.261 1.69 0 CA-C-N 112.164 -2.289 . . . . 0.0 108.185 -179.353 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.8 mtt -134.06 162.46 32.03 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 171.22 -35.62 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.325 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.726 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -50.02 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 111.025 -2.807 . . . . 0.0 109.802 -177.199 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t -116.21 133.44 56.02 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.871 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.424 0.5 OUTLIER -55.38 140.77 38.7 Favored 'General case' 0 CA--C 1.436 -3.433 0 CA-C-O 126.679 3.133 . . . . 0.0 116.233 -172.595 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.744 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.343 30.4 m-85 85.99 134.47 0.05 OUTLIER 'General case' 1 N--CA 1.355 -5.202 1 CA-C-N 104.782 -5.645 . . . . 0.0 113.745 176.769 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.81 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.58 50.72 7.05 Favored 'General case' 1 N--CA 1.376 -4.152 1 CA-C-N 105.742 -5.208 . . . . 0.0 107.583 -179.003 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.0 tt0 -171.16 4.59 0.02 OUTLIER 'General case' 0 N--CA 1.387 -3.599 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.167 -175.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.871 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.338 14.3 m-85 -145.72 -39.83 0.23 Allowed 'General case' 0 CA--C 1.45 -2.887 0 CA-C-O 125.386 2.517 . . . . 0.0 109.496 -176.1 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.22 -32.97 5.26 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.441 0 CA-C-N 108.488 -3.96 . . . . 0.0 106.626 -175.524 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.14 -11.66 12.0 Favored 'General case' 1 N--CA 1.357 -5.109 1 CA-C-N 106.78 -4.736 . . . . 0.0 113.587 -166.825 . . . . . . . . 6 4 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.574 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.7 pt20 -47.98 -32.87 7.04 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.489 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 19.1 ptp180 -77.19 -21.64 53.62 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.356 -175.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -110.89 -44.71 3.57 Favored 'General case' 0 CA--C 1.481 -1.691 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.261 1.707 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.061 -179.27 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.2 mmt -101.45 106.38 17.5 Favored 'General case' 0 CA--C 1.466 -2.283 0 CA-C-O 122.288 1.042 . . . . 0.0 108.533 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -76.36 -41.92 46.53 Favored 'General case' 0 N--CA 1.404 -2.741 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.892 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.2 mt -33.6 99.0 0.01 OUTLIER 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 111.252 -2.704 . . . . 0.0 110.331 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.5 p -92.88 -83.98 0.3 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.432 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.892 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.439 0.8 OUTLIER -54.79 141.53 32.43 Favored 'General case' 0 CA--C 1.439 -3.319 0 CA-C-O 127.103 3.335 . . . . 0.0 117.755 -170.887 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.6 m-85 84.65 134.9 0.05 Allowed 'General case' 1 N--CA 1.357 -5.12 1 CA-C-N 104.209 -5.905 . . . . 0.0 114.424 176.639 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.23 51.32 6.99 Favored 'General case' 1 N--CA 1.378 -4.039 1 CA-C-N 105.682 -5.235 . . . . 0.0 107.69 -179.124 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.5 tt0 -172.65 4.8 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 117.69 -1.604 . . . . 0.0 110.208 -175.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.872 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.341 16.9 m-85 -146.03 -37.84 0.25 Allowed 'General case' 0 CA--C 1.45 -2.876 0 CA-C-O 125.234 2.445 . . . . 0.0 109.602 -176.541 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.952 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.97 -33.47 5.39 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.409 0 CA-C-N 108.802 -3.817 . . . . 0.0 106.097 -176.299 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.42 -8.03 12.84 Favored 'General case' 1 N--CA 1.356 -5.162 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.857 -167.367 . . . . . . . . 6 4 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.21 -31.45 5.81 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.018 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -75.81 -22.73 56.05 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.236 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -112.49 -45.31 3.26 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.8 mttp . . . . . 0 C--O 1.262 1.717 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.146 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.134 0.492 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 39.2 mmt -95.07 105.15 17.05 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-O 122.34 1.066 . . . . 0.0 108.551 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -74.61 -41.77 59.84 Favored 'General case' 0 N--CA 1.403 -2.781 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.884 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -35.23 98.59 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.279 -2.691 . . . . 0.0 110.252 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 24.4 t -93.88 -82.51 0.35 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.273 -177.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.884 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER -55.03 141.67 33.3 Favored 'General case' 0 CA--C 1.437 -3.369 0 CA-C-O 127.101 3.334 . . . . 0.0 117.84 -170.963 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.75 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.351 30.4 m-85 84.56 135.12 0.05 Allowed 'General case' 1 N--CA 1.357 -5.112 1 CA-C-N 104.23 -5.895 . . . . 0.0 114.372 176.67 . . . . . . . . 5 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 51.2 7.38 Favored 'General case' 1 N--CA 1.378 -4.028 1 CA-C-N 105.685 -5.234 . . . . 0.0 107.701 -179.077 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.66 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.8 tt0 -172.35 4.5 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.668 0 C-N-CA 117.837 -1.545 . . . . 0.0 110.305 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.4 m-85 -146.0 -37.79 0.25 Allowed 'General case' 0 CA--C 1.45 -2.904 0 CA-C-O 125.164 2.412 . . . . 0.0 109.533 -176.461 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.945 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.59 -33.23 5.33 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.42 0 CA-C-N 108.833 -3.803 . . . . 0.0 105.884 -176.632 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -115.02 -6.92 12.55 Favored 'General case' 1 N--CA 1.356 -5.164 1 CA-C-N 106.367 -4.924 . . . . 0.0 112.692 -167.615 . . . . . . . . 6 4 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.561 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.85 -31.95 3.42 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.208 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.87 -23.3 58.38 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.042 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -111.15 -45.69 3.4 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt . . . . . 0 C--O 1.262 1.716 0 CA-C-N 113.731 -1.577 . . . . 0.0 108.12 -179.403 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.043 0.449 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.8 mtp -133.42 162.5 31.68 Favored 'General case' 0 CA--C 1.481 -1.706 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 171.58 -35.85 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.306 0 N-CA-C 103.236 -2.876 . . . . 0.0 103.236 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.733 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -49.42 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 111.011 -2.813 . . . . 0.0 109.836 -177.288 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -116.55 133.84 55.55 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.868 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.421 0.5 OUTLIER -55.64 140.87 39.8 Favored 'General case' 0 CA--C 1.435 -3.458 0 CA-C-O 126.756 3.169 . . . . 0.0 116.098 -172.614 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.745 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.34 29.6 m-85 85.82 134.51 0.05 OUTLIER 'General case' 1 N--CA 1.354 -5.254 1 CA-C-N 104.675 -5.693 . . . . 0.0 113.72 176.822 . . . . . . . . 5 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.804 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 59.63 50.77 6.91 Favored 'General case' 1 N--CA 1.375 -4.181 1 CA-C-N 105.718 -5.219 . . . . 0.0 107.632 -178.937 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.4 tt0 -171.07 4.07 0.02 OUTLIER 'General case' 0 N--CA 1.386 -3.665 0 C-N-CA 117.899 -1.52 . . . . 0.0 110.228 -175.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.868 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.345 14.1 m-85 -145.88 -38.7 0.24 Allowed 'General case' 0 CA--C 1.447 -2.991 0 CA-C-O 125.134 2.397 . . . . 0.0 109.699 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.934 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.35 -33.41 5.48 Favored 'Isoleucine or valine' 1 N--CA 1.37 -4.444 0 CA-C-N 108.677 -3.874 . . . . 0.0 106.082 -176.132 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.804 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.415 0.0 OUTLIER -115.52 -6.57 12.25 Favored 'General case' 1 N--CA 1.356 -5.135 1 CA-C-N 106.559 -4.837 . . . . 0.0 113.014 -167.214 . . . . . . . . 6 4 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.4 pt20 -47.44 -31.38 4.11 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.079 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -74.65 -23.59 58.69 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.988 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -111.04 -46.26 3.35 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt . . . . . 0 C--O 1.262 1.72 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.17 -179.212 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -129.65 161.78 29.81 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 173.09 -36.7 0.0 OUTLIER 'General case' 0 N--CA 1.413 -2.289 0 N-CA-C 103.223 -2.88 . . . . 0.0 103.223 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.863 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.72 98.75 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.282 0 CA-C-N 111.078 -2.783 . . . . 0.0 109.14 -177.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.5 p -90.25 -85.56 0.21 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.077 -1.419 . . . . 0.0 111.715 -177.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.882 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER -54.42 141.47 30.51 Favored 'General case' 0 CA--C 1.439 -3.315 0 CA-C-O 127.188 3.375 . . . . 0.0 117.68 -170.765 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.762 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.0 m-85 84.3 135.07 0.05 Allowed 'General case' 1 N--CA 1.354 -5.252 1 CA-C-N 104.007 -5.997 . . . . 0.0 114.332 176.712 . . . . . . . . 5 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.823 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 59.02 52.65 6.13 Favored 'General case' 1 N--CA 1.376 -4.148 1 CA-C-N 105.588 -5.278 . . . . 0.0 107.988 -178.956 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.657 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 9.9 tt0 -173.38 1.02 0.01 OUTLIER 'General case' 0 N--CA 1.389 -3.493 0 C-N-CA 117.803 -1.559 . . . . 0.0 110.59 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.882 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.333 17.5 m-85 -141.02 -40.09 0.4 Allowed 'General case' 0 CA--C 1.449 -2.925 0 CA-C-O 125.496 2.569 . . . . 0.0 109.088 -175.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.93 ' H ' HD12 ' A' ' 12' ' ' ILE 0.263 0.5 OUTLIER -90.99 -33.32 5.72 Favored 'Isoleucine or valine' 1 N--CA 1.369 -4.497 1 CA-C-N 108.176 -4.102 . . . . 0.0 105.12 -177.492 . . . . . . . . 6 4 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.823 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.406 0.0 OUTLIER -118.79 59.75 0.82 Allowed 'General case' 1 N--CA 1.345 -5.715 1 CA-C-N 106.517 -4.856 . . . . 0.0 110.438 -168.271 . . . . . . . . 6 4 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.582 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -137.94 -32.7 0.73 Allowed 'General case' 0 C--N 1.283 -2.298 0 CA-C-N 113.489 -1.687 . . . . 0.0 108.687 -178.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -87.65 -19.94 27.01 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.287 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -102.7 -28.61 12.01 Favored 'General case' 0 CA--C 1.473 -1.987 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.703 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.241 -179.487 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.6 mtp -133.52 162.34 32.14 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 173.07 -36.77 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 103.051 -2.944 . . . . 0.0 103.051 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -48.77 97.75 0.01 OUTLIER 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 111.117 -2.765 . . . . 0.0 108.855 -177.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.534 ' C ' ' H ' ' A' ' 7' ' ' PHE . 73.3 m -93.47 -80.56 0.38 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.597 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.869 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.438 0.8 OUTLIER -55.06 141.63 33.62 Favored 'General case' 0 CA--C 1.438 -3.335 0 CA-C-O 127.103 3.335 . . . . 0.0 117.81 -170.886 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.62 134.91 0.05 Allowed 'General case' 1 N--CA 1.357 -5.106 1 CA-C-N 104.159 -5.928 . . . . 0.0 114.332 176.663 . . . . . . . . 5 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.27 51.21 7.03 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 105.675 -5.239 . . . . 0.0 107.754 -179.154 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.7 tt0 -172.46 4.78 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.758 -1.577 . . . . 0.0 110.246 -175.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.86 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.9 m-85 -146.16 -37.79 0.24 Allowed 'General case' 0 CA--C 1.45 -2.901 0 CA-C-O 125.207 2.432 . . . . 0.0 109.604 -176.541 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.94 ' H ' HD12 ' A' ' 12' ' ' ILE 0.267 0.6 OUTLIER -92.89 -33.07 5.17 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.319 0 CA-C-N 108.815 -3.811 . . . . 0.0 106.078 -176.439 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.413 0.0 OUTLIER -114.92 -8.29 12.53 Favored 'General case' 1 N--CA 1.356 -5.168 1 CA-C-N 106.441 -4.891 . . . . 0.0 112.724 -167.472 . . . . . . . . 6 4 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.9 pt20 -46.94 -31.7 3.33 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.329 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -78.31 -20.84 50.66 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.565 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -114.99 -38.84 3.79 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--O 1.261 1.672 0 CA-C-N 113.927 -1.488 . . . . 0.0 108.096 -179.194 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.122 0.487 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptm -156.57 166.65 32.8 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 122.344 1.068 . . . . 0.0 108.393 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 168.91 -37.09 0.0 OUTLIER 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 103.131 -2.915 . . . . 0.0 103.131 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -49.73 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.341 0 CA-C-N 111.027 -2.806 . . . . 0.0 108.906 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 22.9 t -91.59 -83.34 0.28 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.379 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.438 0.8 OUTLIER -55.06 141.57 33.87 Favored 'General case' 0 CA--C 1.439 -3.312 0 CA-C-O 127.054 3.311 . . . . 0.0 117.767 -170.863 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.354 30.2 m-85 84.75 135.09 0.05 Allowed 'General case' 1 N--CA 1.357 -5.09 1 CA-C-N 104.134 -5.939 . . . . 0.0 114.382 176.626 . . . . . . . . 5 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.788 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.87 51.36 7.5 Favored 'General case' 1 N--CA 1.378 -4.073 1 CA-C-N 105.63 -5.259 . . . . 0.0 107.683 -179.045 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.658 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.41 4.41 0.01 OUTLIER 'General case' 0 N--CA 1.386 -3.634 0 C-N-CA 117.839 -1.544 . . . . 0.0 110.332 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.867 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 17.8 m-85 -146.01 -37.62 0.25 Allowed 'General case' 0 CA--C 1.449 -2.906 0 CA-C-O 125.167 2.413 . . . . 0.0 109.619 -176.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.939 ' H ' HD12 ' A' ' 12' ' ' ILE 0.265 0.6 OUTLIER -92.56 -33.14 5.29 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.378 0 CA-C-N 108.792 -3.822 . . . . 0.0 105.823 -176.789 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.788 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.409 0.0 OUTLIER -115.07 -5.78 12.48 Favored 'General case' 1 N--CA 1.355 -5.203 1 CA-C-N 106.375 -4.92 . . . . 0.0 112.712 -167.624 . . . . . . . . 6 4 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.1 pt20 -48.99 -31.94 8.31 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -85.12 -19.08 32.38 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.689 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -100.97 -36.46 9.02 Favored 'General case' 0 CA--C 1.475 -1.932 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt . . . . . 0 C--O 1.261 1.702 0 CA-C-N 113.007 -1.906 . . . . 0.0 108.202 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.805 0.336 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.7 mtp -105.15 107.6 18.67 Favored 'General case' 0 CA--C 1.465 -2.323 0 CA-C-O 122.268 1.033 . . . . 0.0 108.57 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -74.78 -42.06 58.85 Favored 'General case' 0 N--CA 1.404 -2.75 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.891 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -33.57 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 111.291 -2.686 . . . . 0.0 110.385 -178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.4 p -93.16 -84.02 0.3 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.38 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.891 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.436 0.8 OUTLIER -54.95 141.62 33.02 Favored 'General case' 0 CA--C 1.439 -3.319 0 CA-C-O 127.098 3.333 . . . . 0.0 117.713 -170.796 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.352 30.5 m-85 84.69 134.85 0.05 Allowed 'General case' 1 N--CA 1.358 -5.06 1 CA-C-N 104.158 -5.928 . . . . 0.0 114.366 176.623 . . . . . . . . 5 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.784 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 59.35 50.99 7.09 Favored 'General case' 1 N--CA 1.378 -4.061 1 CA-C-N 105.705 -5.225 . . . . 0.0 107.743 -179.196 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.659 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.6 tt0 -172.42 4.95 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.676 0 C-N-CA 117.701 -1.6 . . . . 0.0 110.22 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.873 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.342 17.5 m-85 -146.09 -37.78 0.24 Allowed 'General case' 0 CA--C 1.45 -2.895 0 CA-C-O 125.302 2.477 . . . . 0.0 109.598 -176.552 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.954 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -93.07 -33.38 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.388 0 CA-C-N 108.847 -3.797 . . . . 0.0 106.182 -176.3 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.784 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -114.3 -8.51 12.89 Favored 'General case' 1 N--CA 1.356 -5.128 1 CA-C-N 106.447 -4.888 . . . . 0.0 112.819 -167.435 . . . . . . . . 6 4 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.576 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.0 pt20 -48.23 -30.76 5.04 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.005 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -76.71 -21.03 55.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.508 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -117.11 -40.96 3.05 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.262 1.722 0 CA-C-N 113.847 -1.524 . . . . 0.0 108.231 -179.066 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.075 0.464 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.3 mmm -129.53 162.09 28.98 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 173.53 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.885 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.1 mt -48.35 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 111.037 -2.801 . . . . 0.0 109.215 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.534 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.0 p -92.2 -84.33 0.28 Allowed 'General case' 0 C--N 1.351 0.645 0 CA-C-N 114.048 -1.433 . . . . 0.0 111.498 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.885 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.441 0.8 OUTLIER -55.13 141.48 34.58 Favored 'General case' 0 CA--C 1.439 -3.309 0 CA-C-O 127.101 3.334 . . . . 0.0 117.78 -170.873 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.755 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.353 30.0 m-85 84.8 135.32 0.05 Allowed 'General case' 1 N--CA 1.357 -5.117 1 CA-C-N 104.208 -5.905 . . . . 0.0 114.425 176.594 . . . . . . . . 5 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.807 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.67 51.21 7.98 Favored 'General case' 0 N--CA 1.379 -3.995 1 CA-C-N 105.633 -5.258 . . . . 0.0 107.829 -178.864 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.654 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 10.9 tt0 -172.01 3.82 0.01 OUTLIER 'General case' 0 N--CA 1.388 -3.552 0 C-N-CA 117.796 -1.561 . . . . 0.0 110.333 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.864 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.34 18.6 m-85 -145.11 -38.27 0.27 Allowed 'General case' 0 CA--C 1.447 -3.0 0 CA-C-O 125.031 2.348 . . . . 0.0 109.537 -176.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.946 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -91.86 -33.4 5.58 Favored 'Isoleucine or valine' 1 N--CA 1.371 -4.403 0 CA-C-N 108.68 -3.873 . . . . 0.0 105.702 -176.895 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.807 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.418 0.0 OUTLIER -116.46 -4.06 11.82 Favored 'General case' 1 N--CA 1.354 -5.236 1 CA-C-N 106.325 -4.943 . . . . 0.0 112.623 -167.669 . . . . . . . . 6 4 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 1.1 pt20 -44.56 -33.25 1.7 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.409 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -74.25 -20.83 60.02 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.051 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -115.59 -53.47 2.59 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--O 1.262 1.718 0 CA-C-N 114.198 -1.364 . . . . 0.0 109.159 179.25 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.1 mtm -123.84 125.38 44.56 Favored 'General case' 0 CA--C 1.468 -2.177 0 CA-C-O 122.685 1.231 . . . . 0.0 108.166 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -103.6 -34.34 8.68 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.867 HD22 ' CE1' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -45.85 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.245 -177.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 7' ' ' PHE . 4.9 p -100.56 -80.13 0.49 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.982 -177.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.867 ' CE1' HD22 ' A' ' 4' ' ' LEU 0.443 0.8 OUTLIER -54.87 141.2 34.19 Favored 'General case' 0 CA--C 1.441 -3.244 0 CA-C-O 126.993 3.282 . . . . 0.0 117.8 -170.808 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.747 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.356 31.5 m-85 85.32 134.74 0.05 OUTLIER 'General case' 1 N--CA 1.36 -4.936 1 CA-C-N 104.378 -5.828 . . . . 0.0 114.594 176.46 . . . . . . . . 5 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.787 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.53 51.32 8.11 Favored 'General case' 0 N--CA 1.38 -3.926 1 CA-C-N 105.614 -5.267 . . . . 0.0 107.658 -178.844 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.661 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.3 tt0 -171.88 4.89 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.681 0 C-N-CA 117.806 -1.558 . . . . 0.0 110.121 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.862 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.344 19.6 m-85 -146.63 -38.05 0.22 Allowed 'General case' 0 CA--C 1.45 -2.871 0 CA-C-O 125.279 2.466 . . . . 0.0 109.682 -176.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.957 ' H ' HD12 ' A' ' 12' ' ' ILE 0.266 0.6 OUTLIER -92.26 -31.87 4.92 Favored 'Isoleucine or valine' 1 N--CA 1.374 -4.255 0 CA-C-N 108.725 -3.852 . . . . 0.0 105.852 -176.664 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.809 HD22 ' HB ' ' A' ' 12' ' ' ILE 0.413 0.0 OUTLIER -116.42 -7.67 11.67 Favored 'General case' 1 N--CA 1.354 -5.255 1 CA-C-N 106.713 -4.767 . . . . 0.0 112.713 -167.594 . . . . . . . . 6 4 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.553 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 6.3 pt20 -47.05 -32.43 4.03 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.112 -1.403 . . . . 0.0 112.805 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -90.67 -17.89 26.02 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -103.48 -33.95 8.87 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.261 1.679 0 CA-C-N 112.165 -2.289 . . . . 0.0 108.115 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.007 0.432 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -130.05 162.13 29.44 Favored 'General case' 0 CA--C 1.48 -1.723 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 174.52 -37.77 0.01 OUTLIER 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.858 HD22 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -47.57 98.42 0.02 OUTLIER 'General case' 0 N--CA 1.413 -2.281 0 CA-C-N 110.913 -2.858 . . . . 0.0 109.091 -177.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 7' ' ' PHE . 5.2 p -89.87 -85.32 0.21 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.648 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.863 ' HA ' ' CE1' ' A' ' 11' ' ' PHE 0.435 0.8 OUTLIER -55.14 141.52 34.51 Favored 'General case' 0 CA--C 1.44 -3.278 0 CA-C-O 127.11 3.338 . . . . 0.0 117.738 -170.778 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.751 ' C ' ' HE ' ' A' ' 9' ' ' ARG 0.355 30.1 m-85 84.94 135.03 0.05 Allowed 'General case' 1 N--CA 1.357 -5.075 1 CA-C-N 104.141 -5.936 . . . . 0.0 114.386 176.603 . . . . . . . . 5 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.794 ' HA ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 58.97 51.23 7.43 Favored 'General case' 1 N--CA 1.378 -4.025 1 CA-C-N 105.679 -5.237 . . . . 0.0 107.692 -179.112 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.655 ' HG2' ' CE1' ' A' ' 11' ' ' PHE . 11.1 tt0 -172.34 4.46 0.01 OUTLIER 'General case' 0 N--CA 1.385 -3.698 0 C-N-CA 117.772 -1.571 . . . . 0.0 110.348 -175.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.863 ' CE1' ' HA ' ' A' ' 7' ' ' PHE 0.343 16.5 m-85 -146.04 -37.82 0.25 Allowed 'General case' 0 CA--C 1.448 -2.944 0 CA-C-O 125.234 2.445 . . . . 0.0 109.58 -176.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.938 ' H ' HD12 ' A' ' 12' ' ' ILE 0.264 0.6 OUTLIER -92.33 -33.11 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.371 0 CA-C-N 108.785 -3.825 . . . . 0.0 105.762 -176.715 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' CB ' ' HA ' ' A' ' 9' ' ' ARG 0.412 0.0 OUTLIER -115.43 -7.52 12.28 Favored 'General case' 1 N--CA 1.354 -5.251 1 CA-C-N 106.379 -4.919 . . . . 0.0 112.614 -167.711 . . . . . . . . 6 4 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.557 ' HG2' ' C ' ' A' ' 11' ' ' PHE . 5.7 pt20 -44.36 -33.82 1.77 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.525 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -76.14 -22.43 55.46 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.334 -175.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -111.96 -38.61 4.75 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm . . . . . 0 C--O 1.262 1.75 0 CA-C-N 114.275 -1.329 . . . . 0.0 107.915 -179.319 . . . . . . . . 0 0 . 1 stop_ save_