data_2n5r_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n5r _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 1.7 tpt85 -88.14 -122.82 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.792 2.037 . . . . 0.0 112.652 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 3' ' ' ARG 0.388 13.2 m-30 -64.69 53.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 1 N-CA-C 122.164 4.135 . . . . 0.0 122.164 -148.52 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.45 -24.56 10.53 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.263 129.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.287 0.0 OUTLIER -61.74 -9.36 6.26 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 118.556 2.798 . . . . 0.0 118.556 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.78 -20.2 20.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 118.889 -2.382 . . . . 0.0 115.548 157.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -5.06 26.3 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.773 -1.83 . . . . 0.0 110.778 157.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -91.4 -33.05 15.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 114.487 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.51 -26.28 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.51 1.959 . . . . 0.0 112.13 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -9.91 59.01 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 N--CA 1.477 0.887 0 C-N-CA 125.959 1.703 . . . . 0.0 114.983 -155.367 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.266 16.0 mmt180 . . . . . 0 C--O 1.225 -0.211 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -139.1 82.13 1.88 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 156.104 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -167.15 71.96 0.12 Allowed 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 84.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.462 2.0 m-20 -124.21 54.73 1.33 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 125.092 2.377 . . . . 0.0 112.855 116.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.273 0.0 OUTLIER -129.11 159.03 37.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.7 136.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 3.8 mp 70.21 9.26 6.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 116.141 -1.885 . . . . 0.0 113.293 -133.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.97 29.23 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.739 -1.851 . . . . 0.0 112.797 146.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 ptt85 -74.54 -10.79 59.89 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.2 -29.75 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 126.411 1.884 . . . . 0.0 109.637 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -18.83 15.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.245 2.218 . . . . 0.0 114.659 164.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.931 0 C-N-CA 126.083 1.753 . . . . 0.0 113.86 -167.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.3 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.637 0.0 OUTLIER -126.9 -111.58 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 164.253 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.484 12.2 m-30 -56.82 39.11 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.825 1 N-CA-C 125.436 5.347 . . . . 0.0 125.436 -130.181 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.412 10.0 p30 -107.97 51.34 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 125.421 2.534 . . . . 0.0 113.888 121.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -137.57 161.04 37.5 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 129.711 3.204 . . . . 0.0 106.901 144.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.27 3.5 mp 61.68 7.71 2.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 116.345 -1.788 . . . . 0.0 112.097 -137.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -51.48 -15.66 0.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 119.044 -2.285 . . . . 0.0 113.903 144.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.66 -23.42 21.89 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 120.019 1.281 . . . . 0.0 113.791 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.72 -26.63 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 C-N-CA 127.335 2.254 . . . . 0.0 109.804 165.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -25.81 64.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 119.918 -1.739 . . . . 0.0 113.477 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 127.245 2.218 . . . . 0.0 109.108 -156.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.77 136.67 20.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.104 1.361 . . . . 0.0 108.468 136.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.31 10.71 0.78 Allowed 'General case' 0 N--CA 1.474 0.758 0 O-C-N 118.681 -2.512 . . . . 0.0 116.317 66.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.08 -40.21 20.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 165.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.356 3.095 . . . . 0.0 119.356 173.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.9 -8.59 13.12 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.134 1.773 . . . . 0.0 114.96 173.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -71.73 -30.35 65.53 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.215 -2.178 . . . . 0.0 109.089 153.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -12.28 53.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.237 1.415 . . . . 0.0 114.442 164.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -94.69 -31.4 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.927 0.891 . . . . 0.0 111.097 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.68 -14.65 56.35 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.507 -1.37 . . . . 0.0 109.383 170.717 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 4' ' ' PHE . 2.9 ttp180 -170.1 -162.97 0.33 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 129.422 3.089 . . . . 0.0 105.652 -167.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' H ' ' HG2' ' A' ' 3' ' ' ARG 0.619 14.9 m-85 -36.9 60.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 N-CA-C 126.494 5.738 . . . . 0.0 126.494 -117.055 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.528 28.0 p30 -109.58 26.49 10.58 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 117.826 -3.046 . . . . 0.0 116.989 126.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.405 0.5 OUTLIER -118.98 8.44 11.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 169.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.356 0.0 OUTLIER -105.86 -14.73 15.13 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.218 -1.551 . . . . 0.0 114.538 153.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.38 5.49 4.56 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 120.433 -1.417 . . . . 0.0 112.179 154.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -92.54 -48.65 6.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.093 1.757 . . . . 0.0 112.647 156.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mt -65.07 -36.16 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.089 0.956 . . . . 0.0 113.121 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.299 0.0 OUTLIER -80.63 16.64 1.32 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 178.315 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 O-C-N 119.456 -2.027 . . . . 0.0 109.703 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.283 11.0 mmm180 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 119.016 2.969 . . . . 0.0 119.016 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.636 0.0 OUTLIER -113.54 -123.81 0.28 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 118.734 2.864 . . . . 0.0 118.734 170.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.562 15.4 m-30 -52.39 25.64 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.589 1 N-CA-C 128.026 6.306 . . . . 0.0 128.026 -126.376 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.417 10.7 p30 -103.8 20.58 17.81 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 132.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 7' ' ' LEU 0.492 0.0 OUTLIER -97.77 164.66 12.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.603 -2.561 . . . . 0.0 113.482 122.746 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.451 ' H ' HD23 ' A' ' 6' ' ' LEU . 6.5 mp 64.94 11.39 6.98 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 118.904 -2.372 . . . . 0.0 114.311 -142.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -81.44 28.49 0.39 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 119.63 -1.919 . . . . 0.0 110.872 144.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -103.1 -15.0 16.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.28 1.432 . . . . 0.0 114.712 148.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.302 12.4 mt -82.27 -34.82 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.16 0.984 . . . . 0.0 109.26 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.315 1.0 OUTLIER -72.39 66.42 0.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.292 -2.755 . . . . 0.0 114.055 138.648 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 N--CA 1.484 1.242 0 C-N-CA 125.417 1.487 . . . . 0.0 113.04 153.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 122.176 0.989 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.326 0.5 OUTLIER -104.07 -138.77 0.36 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 115.258 -2.306 . . . . 0.0 109.368 175.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.519 ' CD1' HD21 ' A' ' 7' ' ' LEU 0.589 14.6 m-30 -50.15 57.7 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 1 N-CA-C 127.095 5.961 . . . . 0.0 127.095 -139.348 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.366 22.6 p30 -124.09 34.52 5.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 118.518 -2.614 . . . . 0.0 116.199 127.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.333 0.0 OUTLIER -123.14 -4.61 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 176.037 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.519 HD21 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -93.01 -22.07 19.37 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.258 -1.526 . . . . 0.0 112.395 154.259 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -81.59 17.69 1.37 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 125.021 1.329 . . . . 0.0 111.542 158.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 HH11 ' HB3' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -102.25 -39.78 7.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.95 1.7 . . . . 0.0 114.343 145.581 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.45 -22.78 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.147 -0.97 . . . . 0.0 112.305 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -13.84 29.2 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 163.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -135.225 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 83.29 1.58 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 115.0 -2.429 . . . . 0.0 107.783 -172.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.562 12.7 m-30 -179.33 60.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.472 -2.149 . . . . 0.0 116.727 110.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -138.64 25.58 2.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 111.289 -2.687 . . . . 0.0 112.68 146.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.327 0.2 OUTLIER -100.94 -27.62 13.2 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 161.052 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.322 0.2 OUTLIER -72.78 -35.37 67.4 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.426 -1.421 . . . . 0.0 114.169 173.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -80.92 21.73 0.67 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.639 -1.913 . . . . 0.0 115.048 166.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -106.9 -34.01 7.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.108 0.563 . . . . 0.0 112.323 155.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.01 -43.09 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.542 0.737 . . . . 0.0 110.058 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -5.83 44.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 117.452 -1.261 . . . . 0.0 113.551 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 121.125 1.784 . . . . 0.0 111.091 -169.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HB2' ' CD1' ' A' ' 4' ' ' PHE 0.301 0.0 OUTLIER -149.5 99.93 2.95 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 115.783 -2.056 . . . . 0.0 114.664 152.438 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.351 2.5 m-85 -175.23 72.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.237 1 N-CA-C 122.693 4.331 . . . . 0.0 122.693 75.817 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.266 31.7 p-10 -123.26 29.86 6.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 117.029 -3.545 . . . . 0.0 117.299 135.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.0 OUTLIER -113.59 15.68 18.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 169.009 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.516 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -122.23 -20.77 6.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 161.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -67.08 -36.12 81.28 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.421 1.464 . . . . 0.0 108.694 166.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -28.49 28.44 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -90.66 -38.37 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 120.108 1.322 . . . . 0.0 111.661 175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.1 4.13 18.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.406 1.483 . . . . 0.0 114.643 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.303 1.041 . . . . 0.0 110.219 -166.832 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.454 HH22 ' CG ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.422 0.0 OUTLIER -131.85 93.53 3.32 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 119.882 -1.761 . . . . 0.0 113.818 145.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.512 3.4 m-30 -177.85 36.75 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.613 1 N-CA-C 124.378 4.955 . . . . 0.0 124.378 103.709 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' CG ' HH22 ' A' ' 2' ' ' ARG 0.329 11.7 p-10 -114.01 52.91 0.8 Allowed 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.642 -3.161 . . . . 0.0 113.846 141.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.258 0.0 OUTLIER -133.49 -2.13 3.09 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 170.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 -17.49 12.24 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.184 1.394 . . . . 0.0 112.564 163.29 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -61.02 -8.2 3.07 Favored 'General case' 0 CA--C 1.569 1.685 0 O-C-N 120.507 -1.371 . . . . 0.0 112.812 146.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -96.05 -34.88 11.57 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 128.321 2.648 . . . . 0.0 116.005 164.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 pt -74.26 -23.56 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 122.505 2.412 . . . . 0.0 113.421 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -25.79 63.2 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.746 -1.221 . . . . 0.0 113.214 163.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 127.889 2.476 . . . . 0.0 113.301 -166.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.42 -152.98 0.19 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.491 2.716 . . . . 0.0 105.865 -172.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.556 10.3 m-85 -34.9 70.25 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.481 1 N-CA-C 127.423 6.083 . . . . 0.0 127.423 -121.178 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.419 12.4 p30 -112.33 -1.39 15.11 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 124.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.309 0.0 OUTLIER -95.59 -3.56 46.18 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 -161.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -13.61 60.96 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.427 -1.421 . . . . 0.0 112.913 153.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HE3' ' CD2' ' A' ' 11' ' ' LEU . 6.6 mmmt -83.65 -20.58 33.35 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.917 165.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -61.55 -54.03 48.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 118.945 -2.347 . . . . 0.0 114.224 151.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.02 -41.58 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 CA-C-N 120.708 1.595 . . . . 0.0 113.055 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.03 1.41 18.02 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -177.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.481 1.085 0 CA-C-N 119.942 1.246 . . . . 0.0 112.831 -157.704 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.364 0.0 OUTLIER -141.51 93.53 2.58 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 143.083 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.408 4.7 m-30 -171.43 51.65 0.02 OUTLIER 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 121.453 3.871 . . . . 0.0 121.453 102.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -126.79 27.49 6.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 118.026 -2.921 . . . . 0.0 110.898 143.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.356 0.1 OUTLIER -99.12 -16.4 18.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 160.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.84 -19.71 24.32 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 121.494 1.952 . . . . 0.0 113.15 160.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -79.84 12.4 2.7 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 121.48 -0.763 . . . . 0.0 111.277 158.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -108.31 -20.92 12.97 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.969 2.108 . . . . 0.0 113.91 157.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.27 -30.39 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-N 120.811 1.641 . . . . 0.0 111.412 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -94.68 47.8 1.18 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 156.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 125.136 1.374 . . . . 0.0 111.826 156.607 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -165.69 20.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 166.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.834 42.1 m-85 -86.6 23.37 1.67 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 121.337 3.829 . . . . 0.0 121.337 -178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -127.87 54.01 1.74 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 129.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -108.63 -23.2 11.91 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 118.375 -2.703 . . . . 0.0 113.435 157.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -66.04 -40.17 90.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -8.82 51.63 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.203 -0.935 . . . . 0.0 112.568 173.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -92.81 -35.03 13.62 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 116.042 -1.932 . . . . 0.0 113.738 165.077 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -30.31 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 122.302 2.319 . . . . 0.0 112.972 171.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -4.02 46.22 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 124.834 1.254 . . . . 0.0 111.42 -170.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 122.773 1.273 . . . . 0.0 113.17 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.476 2.2 ttm180 -110.6 -133.62 0.34 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 116.196 -1.859 . . . . 0.0 110.557 -170.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CD1' HD23 ' A' ' 7' ' ' LEU 0.445 12.5 m-30 -62.47 54.34 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.353 1 N-CA-C 128.307 6.41 . . . . 0.0 128.307 -146.321 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.353 21.2 p30 -109.37 18.42 20.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 117.052 -3.53 . . . . 0.0 116.996 124.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.406 0.0 OUTLIER -104.59 -9.67 18.12 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt? -88.24 -23.51 23.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 119.263 -2.148 . . . . 0.0 113.056 154.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.285 0.8 OUTLIER -76.16 -4.42 41.57 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.144 165.554 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 -83.15 -38.05 22.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.905 -1.747 . . . . 0.0 115.118 151.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.274 47.6 mt -73.74 -22.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 121.637 2.017 . . . . 0.0 113.479 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.93 66.04 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.164 1.347 . . . . 0.0 114.454 169.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -150.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.305 3.6 tpt180 -97.4 -140.05 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.437 166.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -59.33 92.86 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 121.113 3.746 . . . . 0.0 121.113 -146.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -125.61 3.25 7.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 117.879 -3.013 . . . . 0.0 112.17 105.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.331 0.0 OUTLIER -74.86 -2.98 29.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 117.734 -3.104 . . . . 0.0 117.889 179.698 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -98.76 -20.35 16.95 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 119.744 -1.847 . . . . 0.0 114.013 161.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.38 0.0 OUTLIER -72.06 4.0 3.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 151.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -94.32 -30.52 14.48 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.945 1.698 . . . . 0.0 113.851 157.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.88 -36.18 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.32 0.964 . . . . 0.0 111.221 170.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -16.22 48.85 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 O-C-N 121.0 -1.062 . . . . 0.0 111.534 172.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 122.025 0.917 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -144.7 -148.45 0.24 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 115.285 -2.293 . . . . 0.0 108.798 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.491 10.3 m-30 -40.51 46.51 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.993 1 N-CA-C 127.526 6.121 . . . . 0.0 127.526 -142.943 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.258 31.2 p30 -111.43 29.3 7.95 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 117.762 -3.086 . . . . 0.0 115.082 124.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.0 OUTLIER -106.25 -7.25 17.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 119.504 -1.998 . . . . 0.0 115.52 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.486 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.8 -11.1 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.038 -1.664 . . . . 0.0 114.622 168.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -83.38 4.25 28.25 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.422 -0.799 . . . . 0.0 110.411 152.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -85.08 -48.0 9.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.577 -1.327 . . . . 0.0 111.363 151.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.43 -42.06 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -3.23 29.65 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.935 -170.503 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER -149.78 -134.6 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 130.314 3.445 . . . . 0.0 104.537 -173.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.624 9.3 m-85 -55.6 71.78 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.595 1 N-CA-C 126.424 5.713 . . . . 0.0 126.424 -124.486 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.286 33.6 p30 -122.8 17.83 10.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 116.889 -3.632 . . . . 0.0 117.595 124.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.412 0.0 OUTLIER -106.44 5.71 29.64 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 118.522 2.786 . . . . 0.0 118.522 -174.072 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 0.2 OUTLIER -84.43 -30.5 25.27 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.9 154.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.365 0.0 OUTLIER -64.49 2.02 0.7 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 155.16 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -104.64 -33.22 8.58 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 127.61 2.364 . . . . 0.0 116.182 160.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -69.04 -27.79 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 CA-C-N 122.947 2.612 . . . . 0.0 111.692 166.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.74 -28.59 62.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 109.696 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 C-N-CA 127.063 2.145 . . . . 0.0 110.525 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.65 113.56 4.16 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.858 1.263 . . . . 0.0 107.848 136.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -151.09 72.72 1.07 Allowed 'General case' 0 N--CA 1.48 1.031 0 O-C-N 117.35 -3.343 . . . . 0.0 117.911 77.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -133.83 -39.46 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 119.203 -2.186 . . . . 0.0 113.052 155.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.03 13.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 168.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.261 0.0 OUTLIER -127.98 -20.36 3.84 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 163.345 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -3.49 5.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.977 -2.327 . . . . 0.0 113.286 148.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -96.81 -18.14 19.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.478 1.511 . . . . 0.0 113.74 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -89.21 -41.74 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 110.849 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.266 0.0 OUTLIER -68.07 13.28 0.09 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.44 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm . . . . . 0 N--CA 1.472 0.663 0 O-C-N 118.86 -2.4 . . . . 0.0 110.935 169.265 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.325 0.0 OUTLIER -146.08 101.25 3.5 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.878 140.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.505 2.9 m-30 -170.17 30.87 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.72 1 N-CA-C 126.009 5.559 . . . . 0.0 126.009 102.603 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -86.3 -12.34 49.72 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 117.513 -3.242 . . . . 0.0 113.522 149.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.472 0.0 OUTLIER -88.67 -20.22 25.16 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.561 -168.699 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.335 0.3 OUTLIER -86.96 -20.81 26.77 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.51 -1.994 . . . . 0.0 113.447 152.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.7 14.38 0.65 Allowed 'General case' 0 CA--C 1.562 1.43 0 O-C-N 120.656 -1.278 . . . . 0.0 113.971 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -118.89 -30.93 4.92 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 130.121 3.368 . . . . 0.0 111.855 166.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.44 -47.01 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 119.706 1.139 . . . . 0.0 111.227 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.57 60.78 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.084 1.354 . . . . 0.0 109.685 169.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.952 0.406 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 106.81 2.85 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.508 105.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.469 4.7 m-30 -173.94 43.23 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 110.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.93 42.33 3.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.27 -2.769 . . . . 0.0 108.457 142.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.3 OUTLIER -110.48 -22.05 11.86 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.078 -2.264 . . . . 0.0 115.647 157.393 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -10.08 53.43 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 120.994 1.724 . . . . 0.0 113.555 162.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 18.3 1.51 Allowed 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.448 -1.408 . . . . 0.0 113.09 151.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -128.92 11.49 6.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.966 2.506 . . . . 0.0 113.442 158.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 96.2 mt -98.53 -39.93 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.412 160.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.47 79.27 8.96 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.663 -1.273 . . . . 0.0 109.083 145.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 125.184 1.394 . . . . 0.0 111.701 170.674 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.478 1.5 mtp180 -102.95 -145.28 0.36 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.932 171.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.289 12.0 m-30 -54.74 70.28 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.022 1 N-CA-C 125.188 5.255 . . . . 0.0 125.188 -140.362 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -109.52 6.71 24.29 Favored 'General case' 0 C--O 1.211 -0.974 0 O-C-N 117.012 -3.555 . . . . 0.0 111.552 124.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.311 0.0 OUTLIER -95.23 -10.65 29.76 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 118.996 -2.315 . . . . 0.0 116.205 -172.294 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -83.17 -25.61 31.68 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 119.239 -2.163 . . . . 0.0 110.501 153.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.11 2.26 9.31 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.592 0.757 . . . . 0.0 112.159 162.297 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -98.05 -37.04 9.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.813 2.045 . . . . 0.0 112.722 159.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.21 -27.04 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 120.851 1.66 . . . . 0.0 112.507 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -16.36 64.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 171.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 pttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 113.306 -154.23 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 120.562 0.22 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 56.83 14.62 1.9 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 1.7 tpt85 -88.14 -122.82 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.792 2.037 . . . . 0.0 112.652 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 3' ' ' ARG 0.388 13.2 m-30 -64.69 53.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 1 N-CA-C 122.164 4.135 . . . . 0.0 122.164 -148.52 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.45 -24.56 10.53 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.263 129.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.287 0.0 OUTLIER -61.74 -9.36 6.26 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 118.556 2.798 . . . . 0.0 118.556 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.78 -20.2 20.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 118.889 -2.382 . . . . 0.0 115.548 157.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -5.06 26.3 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.773 -1.83 . . . . 0.0 110.778 157.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -91.4 -33.05 15.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 114.487 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.51 -26.28 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.51 1.959 . . . . 0.0 112.13 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -9.91 59.01 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 N--CA 1.477 0.887 0 C-N-CA 125.959 1.703 . . . . 0.0 114.983 -155.367 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.263 2.5 t . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 123.03 1.395 . . . . 0.0 113.891 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.266 16.0 mmt180 -94.11 -2.88 52.06 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -139.1 82.13 1.88 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 156.104 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -167.15 71.96 0.12 Allowed 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 84.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.462 2.0 m-20 -124.21 54.73 1.33 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 125.092 2.377 . . . . 0.0 112.855 116.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.273 0.0 OUTLIER -129.11 159.03 37.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.7 136.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 3.8 mp 70.21 9.26 6.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 116.141 -1.885 . . . . 0.0 113.293 -133.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.97 29.23 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.739 -1.851 . . . . 0.0 112.797 146.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 ptt85 -74.54 -10.79 59.89 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.2 -29.75 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 126.411 1.884 . . . . 0.0 109.637 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -18.83 15.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.245 2.218 . . . . 0.0 114.659 164.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.931 0 C-N-CA 126.083 1.753 . . . . 0.0 113.86 -167.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.333 7.6 p . . . . . 0 C--O 1.214 -0.811 0 CA-C-O 124.432 2.063 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.3 0.4 OUTLIER 53.81 47.56 23.35 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 127.089 2.156 . . . . 0.0 113.432 -164.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.637 0.0 OUTLIER -126.9 -111.58 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 164.253 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.484 12.2 m-30 -56.82 39.11 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.825 1 N-CA-C 125.436 5.347 . . . . 0.0 125.436 -130.181 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.412 10.0 p30 -107.97 51.34 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 125.421 2.534 . . . . 0.0 113.888 121.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -137.57 161.04 37.5 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 129.711 3.204 . . . . 0.0 106.901 144.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.27 3.5 mp 61.68 7.71 2.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 116.345 -1.788 . . . . 0.0 112.097 -137.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -51.48 -15.66 0.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 119.044 -2.285 . . . . 0.0 113.903 144.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.66 -23.42 21.89 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 120.019 1.281 . . . . 0.0 113.791 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.72 -26.63 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 C-N-CA 127.335 2.254 . . . . 0.0 109.804 165.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -25.81 64.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 119.918 -1.739 . . . . 0.0 113.477 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 127.245 2.218 . . . . 0.0 109.108 -156.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.331 0.11 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -157.41 24.88 0.29 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.77 136.67 20.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.104 1.361 . . . . 0.0 108.468 136.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.31 10.71 0.78 Allowed 'General case' 0 N--CA 1.474 0.758 0 O-C-N 118.681 -2.512 . . . . 0.0 116.317 66.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.08 -40.21 20.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 165.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.356 3.095 . . . . 0.0 119.356 173.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.9 -8.59 13.12 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.134 1.773 . . . . 0.0 114.96 173.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -71.73 -30.35 65.53 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.215 -2.178 . . . . 0.0 109.089 153.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -12.28 53.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.237 1.415 . . . . 0.0 114.442 164.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -94.69 -31.4 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.927 0.891 . . . . 0.0 111.097 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.68 -14.65 56.35 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.507 -1.37 . . . . 0.0 109.383 170.717 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 119.183 -0.437 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -28.65 73.47 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 1 C-N-CA 131.785 4.034 . . . . 0.0 115.346 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 4' ' ' PHE . 2.9 ttp180 -170.1 -162.97 0.33 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 129.422 3.089 . . . . 0.0 105.652 -167.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' H ' ' HG2' ' A' ' 3' ' ' ARG 0.619 14.9 m-85 -36.9 60.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 N-CA-C 126.494 5.738 . . . . 0.0 126.494 -117.055 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.528 28.0 p30 -109.58 26.49 10.58 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 117.826 -3.046 . . . . 0.0 116.989 126.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.405 0.5 OUTLIER -118.98 8.44 11.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 169.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.356 0.0 OUTLIER -105.86 -14.73 15.13 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.218 -1.551 . . . . 0.0 114.538 153.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.38 5.49 4.56 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 120.433 -1.417 . . . . 0.0 112.179 154.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -92.54 -48.65 6.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.093 1.757 . . . . 0.0 112.647 156.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mt -65.07 -36.16 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.089 0.956 . . . . 0.0 113.121 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.299 0.0 OUTLIER -80.63 16.64 1.32 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 178.315 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 O-C-N 119.456 -2.027 . . . . 0.0 109.703 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.283 11.0 mmm180 47.72 32.58 2.65 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 119.016 2.969 . . . . 0.0 119.016 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.636 0.0 OUTLIER -113.54 -123.81 0.28 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 118.734 2.864 . . . . 0.0 118.734 170.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.562 15.4 m-30 -52.39 25.64 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.589 1 N-CA-C 128.026 6.306 . . . . 0.0 128.026 -126.376 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.417 10.7 p30 -103.8 20.58 17.81 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 132.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 7' ' ' LEU 0.492 0.0 OUTLIER -97.77 164.66 12.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.603 -2.561 . . . . 0.0 113.482 122.746 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' H ' HD23 ' A' ' 6' ' ' LEU . 6.5 mp 64.94 11.39 6.98 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 118.904 -2.372 . . . . 0.0 114.311 -142.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -81.44 28.49 0.39 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 119.63 -1.919 . . . . 0.0 110.872 144.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -103.1 -15.0 16.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.28 1.432 . . . . 0.0 114.712 148.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.302 12.4 mt -82.27 -34.82 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.16 0.984 . . . . 0.0 109.26 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.315 1.0 OUTLIER -72.39 66.42 0.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.292 -2.755 . . . . 0.0 114.055 138.648 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 N--CA 1.484 1.242 0 C-N-CA 125.417 1.487 . . . . 0.0 113.04 153.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.301 3.8 p . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 121.953 0.882 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.24 33.25 20.21 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.279 -166.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.326 0.5 OUTLIER -104.07 -138.77 0.36 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 115.258 -2.306 . . . . 0.0 109.368 175.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.519 ' CD1' HD21 ' A' ' 7' ' ' LEU 0.589 14.6 m-30 -50.15 57.7 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 1 N-CA-C 127.095 5.961 . . . . 0.0 127.095 -139.348 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.366 22.6 p30 -124.09 34.52 5.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 118.518 -2.614 . . . . 0.0 116.199 127.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.333 0.0 OUTLIER -123.14 -4.61 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 176.037 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.519 HD21 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -93.01 -22.07 19.37 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.258 -1.526 . . . . 0.0 112.395 154.259 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -81.59 17.69 1.37 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 125.021 1.329 . . . . 0.0 111.542 158.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 HH11 ' HB3' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -102.25 -39.78 7.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.95 1.7 . . . . 0.0 114.343 145.581 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.45 -22.78 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.147 -0.97 . . . . 0.0 112.305 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -13.84 29.2 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 163.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -135.225 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.324 1.4 m . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -160.76 -12.28 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.823 1.649 . . . . 0.0 114.016 170.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 83.29 1.58 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 115.0 -2.429 . . . . 0.0 107.783 -172.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.562 12.7 m-30 -179.33 60.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.472 -2.149 . . . . 0.0 116.727 110.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -138.64 25.58 2.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 111.289 -2.687 . . . . 0.0 112.68 146.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.327 0.2 OUTLIER -100.94 -27.62 13.2 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 161.052 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.322 0.2 OUTLIER -72.78 -35.37 67.4 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.426 -1.421 . . . . 0.0 114.169 173.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -80.92 21.73 0.67 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.639 -1.913 . . . . 0.0 115.048 166.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -106.9 -34.01 7.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.108 0.563 . . . . 0.0 112.323 155.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.01 -43.09 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.542 0.737 . . . . 0.0 110.058 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -5.83 44.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 117.452 -1.261 . . . . 0.0 113.551 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 121.125 1.784 . . . . 0.0 111.091 -169.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.983 0.897 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -147.02 14.81 1.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HB2' ' CD1' ' A' ' 4' ' ' PHE 0.301 0.0 OUTLIER -149.5 99.93 2.95 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 115.783 -2.056 . . . . 0.0 114.664 152.438 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.351 2.5 m-85 -175.23 72.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.237 1 N-CA-C 122.693 4.331 . . . . 0.0 122.693 75.817 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.266 31.7 p-10 -123.26 29.86 6.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 117.029 -3.545 . . . . 0.0 117.299 135.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.0 OUTLIER -113.59 15.68 18.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 169.009 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.516 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -122.23 -20.77 6.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 161.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -67.08 -36.12 81.28 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.421 1.464 . . . . 0.0 108.694 166.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -28.49 28.44 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -90.66 -38.37 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 120.108 1.322 . . . . 0.0 111.661 175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.1 4.13 18.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.406 1.483 . . . . 0.0 114.643 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.303 1.041 . . . . 0.0 110.219 -166.832 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 122.77 1.272 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.454 HH22 ' CG ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 60.1 47.64 9.33 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 155.578 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.422 0.0 OUTLIER -131.85 93.53 3.32 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 119.882 -1.761 . . . . 0.0 113.818 145.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.512 3.4 m-30 -177.85 36.75 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.613 1 N-CA-C 124.378 4.955 . . . . 0.0 124.378 103.709 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' CG ' HH22 ' A' ' 2' ' ' ARG 0.329 11.7 p-10 -114.01 52.91 0.8 Allowed 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.642 -3.161 . . . . 0.0 113.846 141.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.258 0.0 OUTLIER -133.49 -2.13 3.09 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 170.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 -17.49 12.24 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.184 1.394 . . . . 0.0 112.564 163.29 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -61.02 -8.2 3.07 Favored 'General case' 0 CA--C 1.569 1.685 0 O-C-N 120.507 -1.371 . . . . 0.0 112.812 146.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -96.05 -34.88 11.57 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 128.321 2.648 . . . . 0.0 116.005 164.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 pt -74.26 -23.56 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 122.505 2.412 . . . . 0.0 113.421 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -25.79 63.2 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.746 -1.221 . . . . 0.0 113.214 163.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 127.889 2.476 . . . . 0.0 113.301 -166.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 117.877 -1.059 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -49.07 80.24 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 129.286 3.035 . . . . 0.0 115.557 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.42 -152.98 0.19 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.491 2.716 . . . . 0.0 105.865 -172.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.556 10.3 m-85 -34.9 70.25 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.481 1 N-CA-C 127.423 6.083 . . . . 0.0 127.423 -121.178 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.419 12.4 p30 -112.33 -1.39 15.11 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 124.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.309 0.0 OUTLIER -95.59 -3.56 46.18 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 -161.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -13.61 60.96 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.427 -1.421 . . . . 0.0 112.913 153.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HE3' ' CD2' ' A' ' 11' ' ' LEU . 6.6 mmmt -83.65 -20.58 33.35 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.917 165.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -61.55 -54.03 48.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 118.945 -2.347 . . . . 0.0 114.224 151.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.02 -41.58 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 CA-C-N 120.708 1.595 . . . . 0.0 113.055 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.03 1.41 18.02 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -177.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.481 1.085 0 CA-C-N 119.942 1.246 . . . . 0.0 112.831 -157.704 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -111.11 10.2 21.97 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 158.005 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.364 0.0 OUTLIER -141.51 93.53 2.58 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 143.083 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.408 4.7 m-30 -171.43 51.65 0.02 OUTLIER 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 121.453 3.871 . . . . 0.0 121.453 102.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -126.79 27.49 6.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 118.026 -2.921 . . . . 0.0 110.898 143.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.356 0.1 OUTLIER -99.12 -16.4 18.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 160.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.84 -19.71 24.32 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 121.494 1.952 . . . . 0.0 113.15 160.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -79.84 12.4 2.7 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 121.48 -0.763 . . . . 0.0 111.277 158.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -108.31 -20.92 12.97 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.969 2.108 . . . . 0.0 113.91 157.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.27 -30.39 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-N 120.811 1.641 . . . . 0.0 111.412 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -94.68 47.8 1.18 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 156.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 125.136 1.374 . . . . 0.0 111.826 156.607 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.254 4.5 t . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 123.777 1.751 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 55.28 32.45 18.65 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 110.957 -2.838 . . . . 0.0 115.016 -170.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -165.69 20.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 166.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.834 42.1 m-85 -86.6 23.37 1.67 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 121.337 3.829 . . . . 0.0 121.337 -178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -127.87 54.01 1.74 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 129.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -108.63 -23.2 11.91 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 118.375 -2.703 . . . . 0.0 113.435 157.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -66.04 -40.17 90.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -8.82 51.63 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.203 -0.935 . . . . 0.0 112.568 173.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -92.81 -35.03 13.62 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 116.042 -1.932 . . . . 0.0 113.738 165.077 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -30.31 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 122.302 2.319 . . . . 0.0 112.972 171.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -4.02 46.22 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 124.834 1.254 . . . . 0.0 111.42 -170.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.534 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 37.38 35.88 0.06 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.45 1.9 . . . . 0.0 113.17 -169.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.534 ' H ' HG12 ' A' ' 1' ' ' VAL 0.476 2.2 ttm180 -110.6 -133.62 0.34 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 116.196 -1.859 . . . . 0.0 110.557 -170.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CD1' HD23 ' A' ' 7' ' ' LEU 0.445 12.5 m-30 -62.47 54.34 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.353 1 N-CA-C 128.307 6.41 . . . . 0.0 128.307 -146.321 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.353 21.2 p30 -109.37 18.42 20.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 117.052 -3.53 . . . . 0.0 116.996 124.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.406 0.0 OUTLIER -104.59 -9.67 18.12 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt? -88.24 -23.51 23.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 119.263 -2.148 . . . . 0.0 113.056 154.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.285 0.8 OUTLIER -76.16 -4.42 41.57 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.144 165.554 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 -83.15 -38.05 22.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.905 -1.747 . . . . 0.0 115.118 151.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.274 47.6 mt -73.74 -22.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 121.637 2.017 . . . . 0.0 113.479 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.93 66.04 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.164 1.347 . . . . 0.0 114.454 169.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -150.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.268 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER 41.63 31.7 0.21 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.036 1.734 . . . . 0.0 113.734 -163.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.305 3.6 tpt180 -97.4 -140.05 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.437 166.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -59.33 92.86 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 121.113 3.746 . . . . 0.0 121.113 -146.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -125.61 3.25 7.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 117.879 -3.013 . . . . 0.0 112.17 105.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.331 0.0 OUTLIER -74.86 -2.98 29.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 117.734 -3.104 . . . . 0.0 117.889 179.698 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -98.76 -20.35 16.95 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 119.744 -1.847 . . . . 0.0 114.013 161.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.38 0.0 OUTLIER -72.06 4.0 3.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 151.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -94.32 -30.52 14.48 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.945 1.698 . . . . 0.0 113.851 157.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.88 -36.18 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.32 0.964 . . . . 0.0 111.221 170.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -16.22 48.85 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 O-C-N 121.0 -1.062 . . . . 0.0 111.534 172.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -63.85 82.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.397 1.079 . . . . 0.0 109.859 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -144.7 -148.45 0.24 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 115.285 -2.293 . . . . 0.0 108.798 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.491 10.3 m-30 -40.51 46.51 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.993 1 N-CA-C 127.526 6.121 . . . . 0.0 127.526 -142.943 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.258 31.2 p30 -111.43 29.3 7.95 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 117.762 -3.086 . . . . 0.0 115.082 124.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.0 OUTLIER -106.25 -7.25 17.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 119.504 -1.998 . . . . 0.0 115.52 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.8 -11.1 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.038 -1.664 . . . . 0.0 114.622 168.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -83.38 4.25 28.25 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.422 -0.799 . . . . 0.0 110.411 152.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -85.08 -48.0 9.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.577 -1.327 . . . . 0.0 111.363 151.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.43 -42.06 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -3.23 29.65 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.935 -170.503 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 116.681 -1.628 . . . . 0.0 111.488 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 -33.79 72.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 130.937 3.695 . . . . 0.0 115.925 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER -149.78 -134.6 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 130.314 3.445 . . . . 0.0 104.537 -173.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.624 9.3 m-85 -55.6 71.78 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.595 1 N-CA-C 126.424 5.713 . . . . 0.0 126.424 -124.486 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.286 33.6 p30 -122.8 17.83 10.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 116.889 -3.632 . . . . 0.0 117.595 124.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.412 0.0 OUTLIER -106.44 5.71 29.64 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 118.522 2.786 . . . . 0.0 118.522 -174.072 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 0.2 OUTLIER -84.43 -30.5 25.27 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.9 154.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.365 0.0 OUTLIER -64.49 2.02 0.7 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 155.16 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -104.64 -33.22 8.58 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 127.61 2.364 . . . . 0.0 116.182 160.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -69.04 -27.79 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 CA-C-N 122.947 2.612 . . . . 0.0 111.692 166.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.74 -28.59 62.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 109.696 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 C-N-CA 127.063 2.145 . . . . 0.0 110.525 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.292 10.6 p . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 123.206 1.479 . . . . 0.0 112.085 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.96 51.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 156.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.65 113.56 4.16 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.858 1.263 . . . . 0.0 107.848 136.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -151.09 72.72 1.07 Allowed 'General case' 0 N--CA 1.48 1.031 0 O-C-N 117.35 -3.343 . . . . 0.0 117.911 77.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -133.83 -39.46 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 119.203 -2.186 . . . . 0.0 113.052 155.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.03 13.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 168.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.261 0.0 OUTLIER -127.98 -20.36 3.84 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 163.345 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -3.49 5.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.977 -2.327 . . . . 0.0 113.286 148.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -96.81 -18.14 19.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.478 1.511 . . . . 0.0 113.74 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -89.21 -41.74 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 110.849 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.266 0.0 OUTLIER -68.07 13.28 0.09 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.44 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm . . . . . 0 N--CA 1.472 0.663 0 O-C-N 118.86 -2.4 . . . . 0.0 110.935 169.265 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -129.32 33.63 4.5 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 161.025 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.325 0.0 OUTLIER -146.08 101.25 3.5 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.878 140.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.505 2.9 m-30 -170.17 30.87 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.72 1 N-CA-C 126.009 5.559 . . . . 0.0 126.009 102.603 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -86.3 -12.34 49.72 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 117.513 -3.242 . . . . 0.0 113.522 149.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.472 0.0 OUTLIER -88.67 -20.22 25.16 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.561 -168.699 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.335 0.3 OUTLIER -86.96 -20.81 26.77 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.51 -1.994 . . . . 0.0 113.447 152.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.7 14.38 0.65 Allowed 'General case' 0 CA--C 1.562 1.43 0 O-C-N 120.656 -1.278 . . . . 0.0 113.971 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -118.89 -30.93 4.92 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 130.121 3.368 . . . . 0.0 111.855 166.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.44 -47.01 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 119.706 1.139 . . . . 0.0 111.227 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.57 60.78 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.084 1.354 . . . . 0.0 109.685 169.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.313 4.4 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 122.152 0.977 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 103.59 87.2 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 131.689 3.996 . . . . 0.0 110.233 -162.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 106.81 2.85 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.508 105.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.469 4.7 m-30 -173.94 43.23 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 110.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.93 42.33 3.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.27 -2.769 . . . . 0.0 108.457 142.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.3 OUTLIER -110.48 -22.05 11.86 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.078 -2.264 . . . . 0.0 115.647 157.393 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -10.08 53.43 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 120.994 1.724 . . . . 0.0 113.555 162.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 18.3 1.51 Allowed 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.448 -1.408 . . . . 0.0 113.09 151.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -128.92 11.49 6.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.966 2.506 . . . . 0.0 113.442 158.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 96.2 mt -98.53 -39.93 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.412 160.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.47 79.27 8.96 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.663 -1.273 . . . . 0.0 109.083 145.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 125.184 1.394 . . . . 0.0 111.701 170.674 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.603 HG12 ' H ' ' A' ' 2' ' ' ARG 0.307 11.8 p . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.603 ' H ' HG12 ' A' ' 1' ' ' VAL . 1.3 tpt85 50.47 41.43 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.476 2.31 . . . . 0.0 113.681 -174.367 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.478 1.5 mtp180 -102.95 -145.28 0.36 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.932 171.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.289 12.0 m-30 -54.74 70.28 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.022 1 N-CA-C 125.188 5.255 . . . . 0.0 125.188 -140.362 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -109.52 6.71 24.29 Favored 'General case' 0 C--O 1.211 -0.974 0 O-C-N 117.012 -3.555 . . . . 0.0 111.552 124.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.311 0.0 OUTLIER -95.23 -10.65 29.76 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 118.996 -2.315 . . . . 0.0 116.205 -172.294 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -83.17 -25.61 31.68 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 119.239 -2.163 . . . . 0.0 110.501 153.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.11 2.26 9.31 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.592 0.757 . . . . 0.0 112.159 162.297 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -98.05 -37.04 9.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.813 2.045 . . . . 0.0 112.722 159.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.21 -27.04 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 120.851 1.66 . . . . 0.0 112.507 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -16.36 64.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 171.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 pttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 113.306 -154.23 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 1.7 tpt85 -88.14 -122.82 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.792 2.037 . . . . 0.0 112.652 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 3' ' ' ARG 0.388 13.2 m-30 -64.69 53.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 1 N-CA-C 122.164 4.135 . . . . 0.0 122.164 -148.52 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.45 -24.56 10.53 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.263 129.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.287 0.0 OUTLIER -61.74 -9.36 6.26 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 118.556 2.798 . . . . 0.0 118.556 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.78 -20.2 20.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 118.889 -2.382 . . . . 0.0 115.548 157.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -5.06 26.3 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.773 -1.83 . . . . 0.0 110.778 157.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -91.4 -33.05 15.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 114.487 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.51 -26.28 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.51 1.959 . . . . 0.0 112.13 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -9.91 59.01 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 N--CA 1.477 0.887 0 C-N-CA 125.959 1.703 . . . . 0.0 114.983 -155.367 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.436 ' O ' HD12 ' A' ' 6' ' ' LEU 0.266 16.0 mmt180 . . . . . 0 C--O 1.225 -0.211 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -139.1 82.13 1.88 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 156.104 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -167.15 71.96 0.12 Allowed 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 84.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.462 2.0 m-20 -124.21 54.73 1.33 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 125.092 2.377 . . . . 0.0 112.855 116.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 2' ' ' ARG 0.273 0.0 OUTLIER -129.11 159.03 37.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.7 136.841 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 3.8 mp 70.21 9.26 6.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 116.141 -1.885 . . . . 0.0 113.293 -133.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.97 29.23 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.739 -1.851 . . . . 0.0 112.797 146.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 ptt85 -74.54 -10.79 59.89 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.2 -29.75 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 126.411 1.884 . . . . 0.0 109.637 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -18.83 15.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.245 2.218 . . . . 0.0 114.659 164.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.931 0 C-N-CA 126.083 1.753 . . . . 0.0 113.86 -167.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.765 HH21 HD23 ' A' ' 6' ' ' LEU 0.3 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 . . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.637 0.0 OUTLIER -126.9 -111.58 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 164.253 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.512 ' CE1' HD13 ' A' ' 7' ' ' LEU 0.484 12.2 m-30 -56.82 39.11 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.825 1 N-CA-C 125.436 5.347 . . . . 0.0 125.436 -130.181 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.412 10.0 p30 -107.97 51.34 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 125.421 2.534 . . . . 0.0 113.888 121.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.765 HD23 HH21 ' A' ' 2' ' ' ARG . 1.4 pp -137.57 161.04 37.5 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 129.711 3.204 . . . . 0.0 106.901 144.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.512 HD13 ' CE1' ' A' ' 4' ' ' PHE 0.27 3.5 mp 61.68 7.71 2.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 116.345 -1.788 . . . . 0.0 112.097 -137.171 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -51.48 -15.66 0.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 119.044 -2.285 . . . . 0.0 113.903 144.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.66 -23.42 21.89 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 120.019 1.281 . . . . 0.0 113.791 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.72 -26.63 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 C-N-CA 127.335 2.254 . . . . 0.0 109.804 165.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -25.81 64.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 119.918 -1.739 . . . . 0.0 113.477 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 127.245 2.218 . . . . 0.0 109.108 -156.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -148.77 136.67 20.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.104 1.361 . . . . 0.0 108.468 136.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.31 10.71 0.78 Allowed 'General case' 0 N--CA 1.474 0.758 0 O-C-N 118.681 -2.512 . . . . 0.0 116.317 66.495 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.08 -40.21 20.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 165.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -48.2 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.356 3.095 . . . . 0.0 119.356 173.773 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -113.9 -8.59 13.12 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.134 1.773 . . . . 0.0 114.96 173.057 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.66 ' HA ' HD23 ' A' ' 11' ' ' LEU . 20.9 mmtm -71.73 -30.35 65.53 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.215 -2.178 . . . . 0.0 109.089 153.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -12.28 53.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.237 1.415 . . . . 0.0 114.442 164.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -94.69 -31.4 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.927 0.891 . . . . 0.0 111.097 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -81.68 -14.65 56.35 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 176.655 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.507 -1.37 . . . . 0.0 109.383 170.717 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -170.1 -162.97 0.33 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 129.422 3.089 . . . . 0.0 105.652 -167.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.619 14.9 m-85 -36.9 60.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 N-CA-C 126.494 5.738 . . . . 0.0 126.494 -117.055 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.528 28.0 p30 -109.58 26.49 10.58 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 117.826 -3.046 . . . . 0.0 116.989 126.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.405 0.5 OUTLIER -118.98 8.44 11.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 169.354 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.356 0.0 OUTLIER -105.86 -14.73 15.13 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.218 -1.551 . . . . 0.0 114.538 153.012 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.38 5.49 4.56 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 120.433 -1.417 . . . . 0.0 112.179 154.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -92.54 -48.65 6.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.093 1.757 . . . . 0.0 112.647 156.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mt -65.07 -36.16 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.089 0.956 . . . . 0.0 113.121 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.299 0.0 OUTLIER -80.63 16.64 1.32 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 178.315 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 O-C-N 119.456 -2.027 . . . . 0.0 109.703 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.283 11.0 mmm180 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 119.016 2.969 . . . . 0.0 119.016 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.636 0.0 OUTLIER -113.54 -123.81 0.28 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 118.734 2.864 . . . . 0.0 118.734 170.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.562 15.4 m-30 -52.39 25.64 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.589 1 N-CA-C 128.026 6.306 . . . . 0.0 128.026 -126.376 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.417 10.7 p30 -103.8 20.58 17.81 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 132.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.765 HD22 ' H ' ' A' ' 7' ' ' LEU 0.492 0.0 OUTLIER -97.77 164.66 12.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.603 -2.561 . . . . 0.0 113.482 122.746 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 6' ' ' LEU . 6.5 mp 64.94 11.39 6.98 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 118.904 -2.372 . . . . 0.0 114.311 -142.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -81.44 28.49 0.39 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 119.63 -1.919 . . . . 0.0 110.872 144.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -103.1 -15.0 16.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.28 1.432 . . . . 0.0 114.712 148.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.302 12.4 mt -82.27 -34.82 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.16 0.984 . . . . 0.0 109.26 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.315 1.0 OUTLIER -72.39 66.42 0.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.292 -2.755 . . . . 0.0 114.055 138.648 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 N--CA 1.484 1.242 0 C-N-CA 125.417 1.487 . . . . 0.0 113.04 153.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 122.176 0.989 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.326 0.5 OUTLIER -104.07 -138.77 0.36 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 115.258 -2.306 . . . . 0.0 109.368 175.503 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.611 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.589 14.6 m-30 -50.15 57.7 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 1 N-CA-C 127.095 5.961 . . . . 0.0 127.095 -139.348 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.366 22.6 p30 -124.09 34.52 5.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 118.518 -2.614 . . . . 0.0 116.199 127.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.333 0.0 OUTLIER -123.14 -4.61 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 176.037 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -93.01 -22.07 19.37 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.258 -1.526 . . . . 0.0 112.395 154.259 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HA ' HD23 ' A' ' 11' ' ' LEU 0.261 0.0 OUTLIER -81.59 17.69 1.37 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 125.021 1.329 . . . . 0.0 111.542 158.738 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' HB3' HH11 ' A' ' 9' ' ' ARG . 0.5 OUTLIER -102.25 -39.78 7.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.95 1.7 . . . . 0.0 114.343 145.581 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.45 -22.78 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.147 -0.97 . . . . 0.0 112.305 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.96 -13.84 29.2 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 163.346 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -135.225 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 83.29 1.58 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 115.0 -2.429 . . . . 0.0 107.783 -172.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.562 12.7 m-30 -179.33 60.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.472 -2.149 . . . . 0.0 116.727 110.137 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -138.64 25.58 2.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 111.289 -2.687 . . . . 0.0 112.68 146.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.327 0.2 OUTLIER -100.94 -27.62 13.2 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 161.052 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.495 HD22 ' CD1' ' A' ' 4' ' ' PHE 0.322 0.2 OUTLIER -72.78 -35.37 67.4 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.426 -1.421 . . . . 0.0 114.169 173.569 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -80.92 21.73 0.67 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.639 -1.913 . . . . 0.0 115.048 166.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -106.9 -34.01 7.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.108 0.563 . . . . 0.0 112.323 155.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.01 -43.09 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.542 0.737 . . . . 0.0 110.058 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -5.83 44.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 117.452 -1.261 . . . . 0.0 113.551 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 121.125 1.784 . . . . 0.0 111.091 -169.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.558 ' HB2' ' CD1' ' A' ' 4' ' ' PHE 0.301 0.0 OUTLIER -149.5 99.93 2.95 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 115.783 -2.056 . . . . 0.0 114.664 152.438 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.827 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.351 2.5 m-85 -175.23 72.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.237 1 N-CA-C 122.693 4.331 . . . . 0.0 122.693 75.817 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.266 31.7 p-10 -123.26 29.86 6.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 117.029 -3.545 . . . . 0.0 117.299 135.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.0 OUTLIER -113.59 15.68 18.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 169.009 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -122.23 -20.77 6.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 161.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.3 mmmt -67.08 -36.12 81.28 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.421 1.464 . . . . 0.0 108.694 166.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -28.49 28.44 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -90.66 -38.37 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 120.108 1.322 . . . . 0.0 111.661 175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -80.1 4.13 18.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.406 1.483 . . . . 0.0 114.643 -176.329 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.303 1.041 . . . . 0.0 110.219 -166.832 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.422 0.0 OUTLIER -131.85 93.53 3.32 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 119.882 -1.761 . . . . 0.0 113.818 145.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.512 3.4 m-30 -177.85 36.75 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.613 1 N-CA-C 124.378 4.955 . . . . 0.0 124.378 103.709 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.329 11.7 p-10 -114.01 52.91 0.8 Allowed 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.642 -3.161 . . . . 0.0 113.846 141.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.258 0.0 OUTLIER -133.49 -2.13 3.09 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 170.703 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 -17.49 12.24 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.184 1.394 . . . . 0.0 112.564 163.29 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -61.02 -8.2 3.07 Favored 'General case' 0 CA--C 1.569 1.685 0 O-C-N 120.507 -1.371 . . . . 0.0 112.812 146.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -96.05 -34.88 11.57 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 128.321 2.648 . . . . 0.0 116.005 164.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 pt -74.26 -23.56 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 122.505 2.412 . . . . 0.0 113.421 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -25.79 63.2 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.746 -1.221 . . . . 0.0 113.214 163.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 127.889 2.476 . . . . 0.0 113.301 -166.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -164.42 -152.98 0.19 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.491 2.716 . . . . 0.0 105.865 -172.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.556 10.3 m-85 -34.9 70.25 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.481 1 N-CA-C 127.423 6.083 . . . . 0.0 127.423 -121.178 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.419 12.4 p30 -112.33 -1.39 15.11 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 124.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.309 0.0 OUTLIER -95.59 -3.56 46.18 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 -161.437 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -13.61 60.96 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.427 -1.421 . . . . 0.0 112.913 153.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' A' ' 11' ' ' LEU . 6.6 mmmt -83.65 -20.58 33.35 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.917 165.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -61.55 -54.03 48.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 118.945 -2.347 . . . . 0.0 114.224 151.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.02 -41.58 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 CA-C-N 120.708 1.595 . . . . 0.0 113.055 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CD2' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.03 1.41 18.02 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -177.661 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.481 1.085 0 CA-C-N 119.942 1.246 . . . . 0.0 112.831 -157.704 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 6' ' ' LEU 0.364 0.0 OUTLIER -141.51 93.53 2.58 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 143.083 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.408 4.7 m-30 -171.43 51.65 0.02 OUTLIER 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 121.453 3.871 . . . . 0.0 121.453 102.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -126.79 27.49 6.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 118.026 -2.921 . . . . 0.0 110.898 143.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 3' ' ' ARG 0.356 0.1 OUTLIER -99.12 -16.4 18.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 160.895 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.84 -19.71 24.32 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 121.494 1.952 . . . . 0.0 113.15 160.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -79.84 12.4 2.7 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 121.48 -0.763 . . . . 0.0 111.277 158.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -108.31 -20.92 12.97 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.969 2.108 . . . . 0.0 113.91 157.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.27 -30.39 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-N 120.811 1.641 . . . . 0.0 111.412 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -94.68 47.8 1.18 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 156.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 125.136 1.374 . . . . 0.0 111.826 156.607 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -165.69 20.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 166.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CD2' HD22 ' A' ' 7' ' ' LEU 0.834 42.1 m-85 -86.6 23.37 1.67 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 121.337 3.829 . . . . 0.0 121.337 -178.432 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.439 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . 12.2 p-10 -127.87 54.01 1.74 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 129.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 6' ' ' LEU 0.278 0.0 OUTLIER -108.63 -23.2 11.91 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 118.375 -2.703 . . . . 0.0 113.435 157.674 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 4' ' ' PHE . 1.6 pt? -66.04 -40.17 90.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 178.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.704 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -69.84 -8.82 51.63 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.203 -0.935 . . . . 0.0 112.568 173.574 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -92.81 -35.03 13.62 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 116.042 -1.932 . . . . 0.0 113.738 165.077 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -30.31 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 122.302 2.319 . . . . 0.0 112.972 171.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.42 -4.02 46.22 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.728 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 124.834 1.254 . . . . 0.0 111.42 -170.864 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 122.773 1.273 . . . . 0.0 113.17 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.476 2.2 ttm180 -110.6 -133.62 0.34 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 116.196 -1.859 . . . . 0.0 110.557 -170.753 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.445 12.5 m-30 -62.47 54.34 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.353 1 N-CA-C 128.307 6.41 . . . . 0.0 128.307 -146.321 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.353 21.2 p30 -109.37 18.42 20.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 117.052 -3.53 . . . . 0.0 116.996 124.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.406 0.0 OUTLIER -104.59 -9.67 18.12 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 179.49 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt? -88.24 -23.51 23.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 119.263 -2.148 . . . . 0.0 113.056 154.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.285 0.8 OUTLIER -76.16 -4.42 41.57 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.144 165.554 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 -83.15 -38.05 22.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.905 -1.747 . . . . 0.0 115.118 151.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.274 47.6 mt -73.74 -22.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 121.637 2.017 . . . . 0.0 113.479 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.93 66.04 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.164 1.347 . . . . 0.0 114.454 169.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -150.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.305 3.6 tpt180 -97.4 -140.05 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.437 166.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -59.33 92.86 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 121.113 3.746 . . . . 0.0 121.113 -146.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -125.61 3.25 7.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 117.879 -3.013 . . . . 0.0 112.17 105.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.331 0.0 OUTLIER -74.86 -2.98 29.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 117.734 -3.104 . . . . 0.0 117.889 179.698 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.516 HD22 HD12 ' A' ' 10' ' ' ILE . 4.3 mt -98.76 -20.35 16.95 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 119.744 -1.847 . . . . 0.0 114.013 161.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HA ' HD23 ' A' ' 11' ' ' LEU 0.38 0.0 OUTLIER -72.06 4.0 3.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 151.802 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -94.32 -30.52 14.48 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.945 1.698 . . . . 0.0 113.851 157.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.516 HD12 HD22 ' A' ' 7' ' ' LEU . 80.6 mt -70.88 -36.18 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.32 0.964 . . . . 0.0 111.221 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.73 -16.22 48.85 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 O-C-N 121.0 -1.062 . . . . 0.0 111.534 172.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 122.025 0.917 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -144.7 -148.45 0.24 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 115.285 -2.293 . . . . 0.0 108.798 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.491 10.3 m-30 -40.51 46.51 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.993 1 N-CA-C 127.526 6.121 . . . . 0.0 127.526 -142.943 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.258 31.2 p30 -111.43 29.3 7.95 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 117.762 -3.086 . . . . 0.0 115.082 124.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.0 OUTLIER -106.25 -7.25 17.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 119.504 -1.998 . . . . 0.0 115.52 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.8 -11.1 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.038 -1.664 . . . . 0.0 114.622 168.234 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HA ' HD23 ' A' ' 11' ' ' LEU . 1.2 mmmt -83.38 4.25 28.25 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.422 -0.799 . . . . 0.0 110.411 152.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -85.08 -48.0 9.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.577 -1.327 . . . . 0.0 111.363 151.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.43 -42.06 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.54 -3.23 29.65 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 179.599 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.935 -170.503 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.574 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.262 0.0 OUTLIER -149.78 -134.6 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 130.314 3.445 . . . . 0.0 104.537 -173.334 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.624 9.3 m-85 -55.6 71.78 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.595 1 N-CA-C 126.424 5.713 . . . . 0.0 126.424 -124.486 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.286 33.6 p30 -122.8 17.83 10.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 116.889 -3.632 . . . . 0.0 117.595 124.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.412 0.0 OUTLIER -106.44 5.71 29.64 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 118.522 2.786 . . . . 0.0 118.522 -174.072 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 0.2 OUTLIER -84.43 -30.5 25.27 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.9 154.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.365 0.0 OUTLIER -64.49 2.02 0.7 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 155.16 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -104.64 -33.22 8.58 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 127.61 2.364 . . . . 0.0 116.182 160.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -69.04 -27.79 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 CA-C-N 122.947 2.612 . . . . 0.0 111.692 166.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.74 -28.59 62.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 109.696 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 C-N-CA 127.063 2.145 . . . . 0.0 110.525 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.459 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -152.65 113.56 4.16 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.858 1.263 . . . . 0.0 107.848 136.275 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' LEU . 3.2 m-85 -151.09 72.72 1.07 Allowed 'General case' 0 N--CA 1.48 1.031 0 O-C-N 117.35 -3.343 . . . . 0.0 117.911 77.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -133.83 -39.46 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 119.203 -2.186 . . . . 0.0 113.052 155.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.03 13.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 168.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 4' ' ' PHE 0.261 0.0 OUTLIER -127.98 -20.36 3.84 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 163.345 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.23 -3.49 5.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.977 -2.327 . . . . 0.0 113.286 148.294 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -96.81 -18.14 19.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.478 1.511 . . . . 0.0 113.74 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -89.21 -41.74 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 110.849 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 8' ' ' LYS 0.266 0.0 OUTLIER -68.07 13.28 0.09 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.44 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm . . . . . 0 N--CA 1.472 0.663 0 O-C-N 118.86 -2.4 . . . . 0.0 110.935 169.265 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.325 0.0 OUTLIER -146.08 101.25 3.5 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.878 140.733 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.505 2.9 m-30 -170.17 30.87 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.72 1 N-CA-C 126.009 5.559 . . . . 0.0 126.009 102.603 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -86.3 -12.34 49.72 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 117.513 -3.242 . . . . 0.0 113.522 149.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.472 0.0 OUTLIER -88.67 -20.22 25.16 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.561 -168.699 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.335 0.3 OUTLIER -86.96 -20.81 26.77 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.51 -1.994 . . . . 0.0 113.447 152.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.7 14.38 0.65 Allowed 'General case' 0 CA--C 1.562 1.43 0 O-C-N 120.656 -1.278 . . . . 0.0 113.971 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -118.89 -30.93 4.92 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 130.121 3.368 . . . . 0.0 111.855 166.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.44 -47.01 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 119.706 1.139 . . . . 0.0 111.227 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.57 60.78 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.084 1.354 . . . . 0.0 109.685 169.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.952 0.406 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.514 ' HB2' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -154.08 106.81 2.85 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.508 105.199 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.469 4.7 m-30 -173.94 43.23 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 110.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.93 42.33 3.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.27 -2.769 . . . . 0.0 108.457 142.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 3' ' ' ARG 0.274 0.3 OUTLIER -110.48 -22.05 11.86 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.078 -2.264 . . . . 0.0 115.647 157.393 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -10.08 53.43 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 120.994 1.724 . . . . 0.0 113.555 162.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 18.3 1.51 Allowed 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.448 -1.408 . . . . 0.0 113.09 151.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -128.92 11.49 6.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.966 2.506 . . . . 0.0 113.442 158.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 96.2 mt -98.53 -39.93 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.412 160.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.47 79.27 8.96 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.663 -1.273 . . . . 0.0 109.083 145.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 125.184 1.394 . . . . 0.0 111.701 170.674 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.478 1.5 mtp180 -102.95 -145.28 0.36 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.932 171.091 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.289 12.0 m-30 -54.74 70.28 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.022 1 N-CA-C 125.188 5.255 . . . . 0.0 125.188 -140.362 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -109.52 6.71 24.29 Favored 'General case' 0 C--O 1.211 -0.974 0 O-C-N 117.012 -3.555 . . . . 0.0 111.552 124.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.311 0.0 OUTLIER -95.23 -10.65 29.76 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 118.996 -2.315 . . . . 0.0 116.205 -172.294 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -83.17 -25.61 31.68 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 119.239 -2.163 . . . . 0.0 110.501 153.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.617 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -74.11 2.26 9.31 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.592 0.757 . . . . 0.0 112.159 162.297 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -98.05 -37.04 9.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.813 2.045 . . . . 0.0 112.722 159.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.21 -27.04 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 120.851 1.66 . . . . 0.0 112.507 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.75 -16.36 64.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 171.93 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 pttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 113.306 -154.23 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 120.562 0.22 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 56.83 14.62 1.9 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 1.7 tpt85 -88.14 -122.82 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.792 2.037 . . . . 0.0 112.652 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 3' ' ' ARG 0.388 13.2 m-30 -64.69 53.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 1 N-CA-C 122.164 4.135 . . . . 0.0 122.164 -148.52 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.45 -24.56 10.53 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.263 129.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.287 0.0 OUTLIER -61.74 -9.36 6.26 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 118.556 2.798 . . . . 0.0 118.556 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.78 -20.2 20.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 118.889 -2.382 . . . . 0.0 115.548 157.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -5.06 26.3 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.773 -1.83 . . . . 0.0 110.778 157.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -91.4 -33.05 15.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 114.487 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.51 -26.28 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.51 1.959 . . . . 0.0 112.13 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -9.91 59.01 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 N--CA 1.477 0.887 0 C-N-CA 125.959 1.703 . . . . 0.0 114.983 -155.367 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.263 2.5 t . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 123.03 1.395 . . . . 0.0 113.891 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' O ' HD12 ' A' ' 6' ' ' LEU 0.266 16.0 mmt180 -94.11 -2.88 52.06 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -139.1 82.13 1.88 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 156.104 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -167.15 71.96 0.12 Allowed 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 84.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.462 2.0 m-20 -124.21 54.73 1.33 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 125.092 2.377 . . . . 0.0 112.855 116.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 2' ' ' ARG 0.273 0.0 OUTLIER -129.11 159.03 37.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.7 136.841 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 3.8 mp 70.21 9.26 6.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 116.141 -1.885 . . . . 0.0 113.293 -133.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.97 29.23 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.739 -1.851 . . . . 0.0 112.797 146.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 ptt85 -74.54 -10.79 59.89 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.2 -29.75 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 126.411 1.884 . . . . 0.0 109.637 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -18.83 15.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.245 2.218 . . . . 0.0 114.659 164.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.931 0 C-N-CA 126.083 1.753 . . . . 0.0 113.86 -167.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.333 7.6 p . . . . . 0 C--O 1.214 -0.811 0 CA-C-O 124.432 2.063 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.765 HH21 HD23 ' A' ' 6' ' ' LEU 0.3 0.4 OUTLIER 53.81 47.56 23.35 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 127.089 2.156 . . . . 0.0 113.432 -164.95 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.637 0.0 OUTLIER -126.9 -111.58 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 164.253 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.512 ' CE1' HD13 ' A' ' 7' ' ' LEU 0.484 12.2 m-30 -56.82 39.11 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.825 1 N-CA-C 125.436 5.347 . . . . 0.0 125.436 -130.181 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.412 10.0 p30 -107.97 51.34 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 125.421 2.534 . . . . 0.0 113.888 121.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.765 HD23 HH21 ' A' ' 2' ' ' ARG . 1.4 pp -137.57 161.04 37.5 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 129.711 3.204 . . . . 0.0 106.901 144.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.512 HD13 ' CE1' ' A' ' 4' ' ' PHE 0.27 3.5 mp 61.68 7.71 2.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 116.345 -1.788 . . . . 0.0 112.097 -137.171 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -51.48 -15.66 0.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 119.044 -2.285 . . . . 0.0 113.903 144.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.66 -23.42 21.89 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 120.019 1.281 . . . . 0.0 113.791 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.72 -26.63 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 C-N-CA 127.335 2.254 . . . . 0.0 109.804 165.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -25.81 64.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 119.918 -1.739 . . . . 0.0 113.477 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 127.245 2.218 . . . . 0.0 109.108 -156.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.331 0.11 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -157.41 24.88 0.29 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -148.77 136.67 20.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.104 1.361 . . . . 0.0 108.468 136.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.31 10.71 0.78 Allowed 'General case' 0 N--CA 1.474 0.758 0 O-C-N 118.681 -2.512 . . . . 0.0 116.317 66.495 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.08 -40.21 20.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 165.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -48.2 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.356 3.095 . . . . 0.0 119.356 173.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -113.9 -8.59 13.12 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.134 1.773 . . . . 0.0 114.96 173.057 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.66 ' HA ' HD23 ' A' ' 11' ' ' LEU . 20.9 mmtm -71.73 -30.35 65.53 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.215 -2.178 . . . . 0.0 109.089 153.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -12.28 53.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.237 1.415 . . . . 0.0 114.442 164.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -94.69 -31.4 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.927 0.891 . . . . 0.0 111.097 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -81.68 -14.65 56.35 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 176.655 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.507 -1.37 . . . . 0.0 109.383 170.717 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 119.183 -0.437 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -28.65 73.47 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 1 C-N-CA 131.785 4.034 . . . . 0.0 115.346 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -170.1 -162.97 0.33 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 129.422 3.089 . . . . 0.0 105.652 -167.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.619 14.9 m-85 -36.9 60.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 N-CA-C 126.494 5.738 . . . . 0.0 126.494 -117.055 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.528 28.0 p30 -109.58 26.49 10.58 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 117.826 -3.046 . . . . 0.0 116.989 126.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.405 0.5 OUTLIER -118.98 8.44 11.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 169.354 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.356 0.0 OUTLIER -105.86 -14.73 15.13 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.218 -1.551 . . . . 0.0 114.538 153.012 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.38 5.49 4.56 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 120.433 -1.417 . . . . 0.0 112.179 154.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -92.54 -48.65 6.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.093 1.757 . . . . 0.0 112.647 156.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mt -65.07 -36.16 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.089 0.956 . . . . 0.0 113.121 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.299 0.0 OUTLIER -80.63 16.64 1.32 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 178.315 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 O-C-N 119.456 -2.027 . . . . 0.0 109.703 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.283 11.0 mmm180 47.72 32.58 2.65 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 119.016 2.969 . . . . 0.0 119.016 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.636 0.0 OUTLIER -113.54 -123.81 0.28 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 118.734 2.864 . . . . 0.0 118.734 170.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.562 15.4 m-30 -52.39 25.64 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.589 1 N-CA-C 128.026 6.306 . . . . 0.0 128.026 -126.376 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.417 10.7 p30 -103.8 20.58 17.81 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 132.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.765 HD22 ' H ' ' A' ' 7' ' ' LEU 0.492 0.0 OUTLIER -97.77 164.66 12.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.603 -2.561 . . . . 0.0 113.482 122.746 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 6' ' ' LEU . 6.5 mp 64.94 11.39 6.98 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 118.904 -2.372 . . . . 0.0 114.311 -142.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -81.44 28.49 0.39 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 119.63 -1.919 . . . . 0.0 110.872 144.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -103.1 -15.0 16.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.28 1.432 . . . . 0.0 114.712 148.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.302 12.4 mt -82.27 -34.82 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.16 0.984 . . . . 0.0 109.26 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.315 1.0 OUTLIER -72.39 66.42 0.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.292 -2.755 . . . . 0.0 114.055 138.648 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 N--CA 1.484 1.242 0 C-N-CA 125.417 1.487 . . . . 0.0 113.04 153.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.301 3.8 p . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 121.953 0.882 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.24 33.25 20.21 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.279 -166.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.326 0.5 OUTLIER -104.07 -138.77 0.36 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 115.258 -2.306 . . . . 0.0 109.368 175.503 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.611 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.589 14.6 m-30 -50.15 57.7 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 1 N-CA-C 127.095 5.961 . . . . 0.0 127.095 -139.348 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.366 22.6 p30 -124.09 34.52 5.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 118.518 -2.614 . . . . 0.0 116.199 127.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.333 0.0 OUTLIER -123.14 -4.61 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 176.037 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -93.01 -22.07 19.37 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.258 -1.526 . . . . 0.0 112.395 154.259 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HA ' HD23 ' A' ' 11' ' ' LEU 0.261 0.0 OUTLIER -81.59 17.69 1.37 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 125.021 1.329 . . . . 0.0 111.542 158.738 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' HB3' HH11 ' A' ' 9' ' ' ARG . 0.5 OUTLIER -102.25 -39.78 7.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.95 1.7 . . . . 0.0 114.343 145.581 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.45 -22.78 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.147 -0.97 . . . . 0.0 112.305 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.96 -13.84 29.2 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 163.346 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -135.225 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.324 1.4 m . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -160.76 -12.28 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.823 1.649 . . . . 0.0 114.016 170.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 83.29 1.58 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 115.0 -2.429 . . . . 0.0 107.783 -172.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.562 12.7 m-30 -179.33 60.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.472 -2.149 . . . . 0.0 116.727 110.137 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -138.64 25.58 2.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 111.289 -2.687 . . . . 0.0 112.68 146.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.327 0.2 OUTLIER -100.94 -27.62 13.2 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 161.052 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.495 HD22 ' CD1' ' A' ' 4' ' ' PHE 0.322 0.2 OUTLIER -72.78 -35.37 67.4 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.426 -1.421 . . . . 0.0 114.169 173.569 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -80.92 21.73 0.67 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.639 -1.913 . . . . 0.0 115.048 166.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -106.9 -34.01 7.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.108 0.563 . . . . 0.0 112.323 155.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.01 -43.09 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.542 0.737 . . . . 0.0 110.058 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -5.83 44.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 117.452 -1.261 . . . . 0.0 113.551 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 121.125 1.784 . . . . 0.0 111.091 -169.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.983 0.897 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -147.02 14.81 1.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.558 ' HB2' ' CD1' ' A' ' 4' ' ' PHE 0.301 0.0 OUTLIER -149.5 99.93 2.95 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 115.783 -2.056 . . . . 0.0 114.664 152.438 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.827 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.351 2.5 m-85 -175.23 72.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.237 1 N-CA-C 122.693 4.331 . . . . 0.0 122.693 75.817 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.266 31.7 p-10 -123.26 29.86 6.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 117.029 -3.545 . . . . 0.0 117.299 135.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.0 OUTLIER -113.59 15.68 18.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 169.009 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -122.23 -20.77 6.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 161.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.3 mmmt -67.08 -36.12 81.28 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.421 1.464 . . . . 0.0 108.694 166.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -28.49 28.44 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -90.66 -38.37 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 120.108 1.322 . . . . 0.0 111.661 175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -80.1 4.13 18.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.406 1.483 . . . . 0.0 114.643 -176.329 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.303 1.041 . . . . 0.0 110.219 -166.832 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 122.77 1.272 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 47.64 9.33 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 155.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.422 0.0 OUTLIER -131.85 93.53 3.32 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 119.882 -1.761 . . . . 0.0 113.818 145.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.512 3.4 m-30 -177.85 36.75 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.613 1 N-CA-C 124.378 4.955 . . . . 0.0 124.378 103.709 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.329 11.7 p-10 -114.01 52.91 0.8 Allowed 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.642 -3.161 . . . . 0.0 113.846 141.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.258 0.0 OUTLIER -133.49 -2.13 3.09 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 170.703 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 -17.49 12.24 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.184 1.394 . . . . 0.0 112.564 163.29 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -61.02 -8.2 3.07 Favored 'General case' 0 CA--C 1.569 1.685 0 O-C-N 120.507 -1.371 . . . . 0.0 112.812 146.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -96.05 -34.88 11.57 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 128.321 2.648 . . . . 0.0 116.005 164.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 pt -74.26 -23.56 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 122.505 2.412 . . . . 0.0 113.421 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -25.79 63.2 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.746 -1.221 . . . . 0.0 113.214 163.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 127.889 2.476 . . . . 0.0 113.301 -166.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 117.877 -1.059 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -49.07 80.24 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 129.286 3.035 . . . . 0.0 115.557 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -164.42 -152.98 0.19 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.491 2.716 . . . . 0.0 105.865 -172.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.556 10.3 m-85 -34.9 70.25 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.481 1 N-CA-C 127.423 6.083 . . . . 0.0 127.423 -121.178 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.419 12.4 p30 -112.33 -1.39 15.11 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 124.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.309 0.0 OUTLIER -95.59 -3.56 46.18 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 -161.437 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -13.61 60.96 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.427 -1.421 . . . . 0.0 112.913 153.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' A' ' 11' ' ' LEU . 6.6 mmmt -83.65 -20.58 33.35 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.917 165.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -61.55 -54.03 48.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 118.945 -2.347 . . . . 0.0 114.224 151.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.02 -41.58 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 CA-C-N 120.708 1.595 . . . . 0.0 113.055 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CD2' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.03 1.41 18.02 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -177.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.481 1.085 0 CA-C-N 119.942 1.246 . . . . 0.0 112.831 -157.704 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -111.11 10.2 21.97 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 158.005 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 6' ' ' LEU 0.364 0.0 OUTLIER -141.51 93.53 2.58 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 143.083 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.408 4.7 m-30 -171.43 51.65 0.02 OUTLIER 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 121.453 3.871 . . . . 0.0 121.453 102.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -126.79 27.49 6.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 118.026 -2.921 . . . . 0.0 110.898 143.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 3' ' ' ARG 0.356 0.1 OUTLIER -99.12 -16.4 18.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 160.895 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.84 -19.71 24.32 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 121.494 1.952 . . . . 0.0 113.15 160.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -79.84 12.4 2.7 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 121.48 -0.763 . . . . 0.0 111.277 158.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -108.31 -20.92 12.97 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.969 2.108 . . . . 0.0 113.91 157.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.27 -30.39 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-N 120.811 1.641 . . . . 0.0 111.412 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -94.68 47.8 1.18 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 156.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 125.136 1.374 . . . . 0.0 111.826 156.607 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.254 4.5 t . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 123.777 1.751 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 55.28 32.45 18.65 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 110.957 -2.838 . . . . 0.0 115.016 -170.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -165.69 20.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 166.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CD2' HD22 ' A' ' 7' ' ' LEU 0.834 42.1 m-85 -86.6 23.37 1.67 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 121.337 3.829 . . . . 0.0 121.337 -178.432 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . 12.2 p-10 -127.87 54.01 1.74 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 129.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 6' ' ' LEU 0.278 0.0 OUTLIER -108.63 -23.2 11.91 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 118.375 -2.703 . . . . 0.0 113.435 157.674 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 4' ' ' PHE . 1.6 pt? -66.04 -40.17 90.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 178.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.704 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -69.84 -8.82 51.63 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.203 -0.935 . . . . 0.0 112.568 173.574 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -92.81 -35.03 13.62 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 116.042 -1.932 . . . . 0.0 113.738 165.077 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -30.31 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 122.302 2.319 . . . . 0.0 112.972 171.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.42 -4.02 46.22 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.728 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 124.834 1.254 . . . . 0.0 111.42 -170.864 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.758 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 37.38 35.88 0.06 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.45 1.9 . . . . 0.0 113.17 -169.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.758 ' H ' HG12 ' A' ' 1' ' ' VAL 0.476 2.2 ttm180 -110.6 -133.62 0.34 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 116.196 -1.859 . . . . 0.0 110.557 -170.753 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.445 12.5 m-30 -62.47 54.34 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.353 1 N-CA-C 128.307 6.41 . . . . 0.0 128.307 -146.321 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.353 21.2 p30 -109.37 18.42 20.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 117.052 -3.53 . . . . 0.0 116.996 124.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.406 0.0 OUTLIER -104.59 -9.67 18.12 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 179.49 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt? -88.24 -23.51 23.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 119.263 -2.148 . . . . 0.0 113.056 154.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.285 0.8 OUTLIER -76.16 -4.42 41.57 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.144 165.554 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 -83.15 -38.05 22.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.905 -1.747 . . . . 0.0 115.118 151.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.274 47.6 mt -73.74 -22.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 121.637 2.017 . . . . 0.0 113.479 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.93 66.04 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.164 1.347 . . . . 0.0 114.454 169.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -150.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.268 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER 41.63 31.7 0.21 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.036 1.734 . . . . 0.0 113.734 -163.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.305 3.6 tpt180 -97.4 -140.05 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.437 166.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -59.33 92.86 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 121.113 3.746 . . . . 0.0 121.113 -146.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -125.61 3.25 7.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 117.879 -3.013 . . . . 0.0 112.17 105.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.331 0.0 OUTLIER -74.86 -2.98 29.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 117.734 -3.104 . . . . 0.0 117.889 179.698 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.516 HD22 HD12 ' A' ' 10' ' ' ILE . 4.3 mt -98.76 -20.35 16.95 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 119.744 -1.847 . . . . 0.0 114.013 161.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HA ' HD23 ' A' ' 11' ' ' LEU 0.38 0.0 OUTLIER -72.06 4.0 3.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 151.802 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -94.32 -30.52 14.48 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.945 1.698 . . . . 0.0 113.851 157.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.516 HD12 HD22 ' A' ' 7' ' ' LEU . 80.6 mt -70.88 -36.18 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.32 0.964 . . . . 0.0 111.221 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.73 -16.22 48.85 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 O-C-N 121.0 -1.062 . . . . 0.0 111.534 172.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -63.85 82.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.397 1.079 . . . . 0.0 109.859 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -144.7 -148.45 0.24 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 115.285 -2.293 . . . . 0.0 108.798 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.491 10.3 m-30 -40.51 46.51 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.993 1 N-CA-C 127.526 6.121 . . . . 0.0 127.526 -142.943 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.258 31.2 p30 -111.43 29.3 7.95 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 117.762 -3.086 . . . . 0.0 115.082 124.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.0 OUTLIER -106.25 -7.25 17.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 119.504 -1.998 . . . . 0.0 115.52 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.8 -11.1 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.038 -1.664 . . . . 0.0 114.622 168.234 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HA ' HD23 ' A' ' 11' ' ' LEU . 1.2 mmmt -83.38 4.25 28.25 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.422 -0.799 . . . . 0.0 110.411 152.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -85.08 -48.0 9.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.577 -1.327 . . . . 0.0 111.363 151.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.43 -42.06 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.54 -3.23 29.65 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 179.599 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.935 -170.503 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 116.681 -1.628 . . . . 0.0 111.488 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 -33.79 72.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 130.937 3.695 . . . . 0.0 115.925 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.574 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.262 0.0 OUTLIER -149.78 -134.6 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 130.314 3.445 . . . . 0.0 104.537 -173.334 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.624 9.3 m-85 -55.6 71.78 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.595 1 N-CA-C 126.424 5.713 . . . . 0.0 126.424 -124.486 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.286 33.6 p30 -122.8 17.83 10.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 116.889 -3.632 . . . . 0.0 117.595 124.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.412 0.0 OUTLIER -106.44 5.71 29.64 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 118.522 2.786 . . . . 0.0 118.522 -174.072 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 0.2 OUTLIER -84.43 -30.5 25.27 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.9 154.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.365 0.0 OUTLIER -64.49 2.02 0.7 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 155.16 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -104.64 -33.22 8.58 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 127.61 2.364 . . . . 0.0 116.182 160.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -69.04 -27.79 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 CA-C-N 122.947 2.612 . . . . 0.0 111.692 166.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.74 -28.59 62.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 109.696 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 C-N-CA 127.063 2.145 . . . . 0.0 110.525 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.292 10.6 p . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 123.206 1.479 . . . . 0.0 112.085 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.96 51.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 156.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.459 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -152.65 113.56 4.16 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.858 1.263 . . . . 0.0 107.848 136.275 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' LEU . 3.2 m-85 -151.09 72.72 1.07 Allowed 'General case' 0 N--CA 1.48 1.031 0 O-C-N 117.35 -3.343 . . . . 0.0 117.911 77.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -133.83 -39.46 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 119.203 -2.186 . . . . 0.0 113.052 155.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.03 13.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 168.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 4' ' ' PHE 0.261 0.0 OUTLIER -127.98 -20.36 3.84 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 163.345 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.23 -3.49 5.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.977 -2.327 . . . . 0.0 113.286 148.294 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -96.81 -18.14 19.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.478 1.511 . . . . 0.0 113.74 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -89.21 -41.74 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 110.849 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 8' ' ' LYS 0.266 0.0 OUTLIER -68.07 13.28 0.09 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.44 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm . . . . . 0 N--CA 1.472 0.663 0 O-C-N 118.86 -2.4 . . . . 0.0 110.935 169.265 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -129.32 33.63 4.5 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 161.025 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.325 0.0 OUTLIER -146.08 101.25 3.5 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.878 140.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.505 2.9 m-30 -170.17 30.87 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.72 1 N-CA-C 126.009 5.559 . . . . 0.0 126.009 102.603 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -86.3 -12.34 49.72 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 117.513 -3.242 . . . . 0.0 113.522 149.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.472 0.0 OUTLIER -88.67 -20.22 25.16 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.561 -168.699 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.335 0.3 OUTLIER -86.96 -20.81 26.77 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.51 -1.994 . . . . 0.0 113.447 152.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.7 14.38 0.65 Allowed 'General case' 0 CA--C 1.562 1.43 0 O-C-N 120.656 -1.278 . . . . 0.0 113.971 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -118.89 -30.93 4.92 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 130.121 3.368 . . . . 0.0 111.855 166.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.44 -47.01 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 119.706 1.139 . . . . 0.0 111.227 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.57 60.78 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.084 1.354 . . . . 0.0 109.685 169.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.313 4.4 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 122.152 0.977 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 103.59 87.2 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 131.689 3.996 . . . . 0.0 110.233 -162.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.514 ' HB2' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -154.08 106.81 2.85 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.508 105.199 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.469 4.7 m-30 -173.94 43.23 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 110.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.93 42.33 3.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.27 -2.769 . . . . 0.0 108.457 142.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 3' ' ' ARG 0.274 0.3 OUTLIER -110.48 -22.05 11.86 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.078 -2.264 . . . . 0.0 115.647 157.393 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -10.08 53.43 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 120.994 1.724 . . . . 0.0 113.555 162.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 18.3 1.51 Allowed 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.448 -1.408 . . . . 0.0 113.09 151.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -128.92 11.49 6.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.966 2.506 . . . . 0.0 113.442 158.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 96.2 mt -98.53 -39.93 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.412 160.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.47 79.27 8.96 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.663 -1.273 . . . . 0.0 109.083 145.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 125.184 1.394 . . . . 0.0 111.701 170.674 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 2' ' ' ARG 0.307 11.8 p . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.717 ' H ' HG13 ' A' ' 1' ' ' VAL . 1.3 tpt85 50.47 41.43 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.476 2.31 . . . . 0.0 113.681 -174.367 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.478 1.5 mtp180 -102.95 -145.28 0.36 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.932 171.091 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.289 12.0 m-30 -54.74 70.28 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.022 1 N-CA-C 125.188 5.255 . . . . 0.0 125.188 -140.362 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -109.52 6.71 24.29 Favored 'General case' 0 C--O 1.211 -0.974 0 O-C-N 117.012 -3.555 . . . . 0.0 111.552 124.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.311 0.0 OUTLIER -95.23 -10.65 29.76 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 118.996 -2.315 . . . . 0.0 116.205 -172.294 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -83.17 -25.61 31.68 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 119.239 -2.163 . . . . 0.0 110.501 153.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.617 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -74.11 2.26 9.31 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.592 0.757 . . . . 0.0 112.159 162.297 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -98.05 -37.04 9.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.813 2.045 . . . . 0.0 112.722 159.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.21 -27.04 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 120.851 1.66 . . . . 0.0 112.507 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.75 -16.36 64.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 171.93 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 pttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 113.306 -154.23 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 1.7 tpt85 -88.14 -122.82 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.792 2.037 . . . . 0.0 112.652 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 3' ' ' ARG 0.388 13.2 m-30 -64.69 53.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 1 N-CA-C 122.164 4.135 . . . . 0.0 122.164 -148.52 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.45 -24.56 10.53 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.263 129.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.287 0.0 OUTLIER -61.74 -9.36 6.26 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 118.556 2.798 . . . . 0.0 118.556 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.78 -20.2 20.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 118.889 -2.382 . . . . 0.0 115.548 157.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -5.06 26.3 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.773 -1.83 . . . . 0.0 110.778 157.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -91.4 -33.05 15.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 114.487 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.51 -26.28 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.51 1.959 . . . . 0.0 112.13 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -9.91 59.01 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 N--CA 1.477 0.887 0 C-N-CA 125.959 1.703 . . . . 0.0 114.983 -155.367 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.436 ' O ' HD12 ' A' ' 6' ' ' LEU 0.266 16.0 mmt180 . . . . . 0 C--O 1.225 -0.211 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -139.1 82.13 1.88 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 156.104 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -167.15 71.96 0.12 Allowed 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 84.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.462 2.0 m-20 -124.21 54.73 1.33 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 125.092 2.377 . . . . 0.0 112.855 116.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 2' ' ' ARG 0.273 0.0 OUTLIER -129.11 159.03 37.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.7 136.841 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 3.8 mp 70.21 9.26 6.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 116.141 -1.885 . . . . 0.0 113.293 -133.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.97 29.23 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.739 -1.851 . . . . 0.0 112.797 146.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 ptt85 -74.54 -10.79 59.89 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.2 -29.75 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 126.411 1.884 . . . . 0.0 109.637 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -18.83 15.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.245 2.218 . . . . 0.0 114.659 164.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.931 0 C-N-CA 126.083 1.753 . . . . 0.0 113.86 -167.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.765 HH21 HD23 ' A' ' 6' ' ' LEU 0.3 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.637 0.0 OUTLIER -126.9 -111.58 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 164.253 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.512 ' CE1' HD13 ' A' ' 7' ' ' LEU 0.484 12.2 m-30 -56.82 39.11 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.825 1 N-CA-C 125.436 5.347 . . . . 0.0 125.436 -130.181 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.412 10.0 p30 -107.97 51.34 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 125.421 2.534 . . . . 0.0 113.888 121.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.765 HD23 HH21 ' A' ' 2' ' ' ARG . 1.4 pp -137.57 161.04 37.5 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 129.711 3.204 . . . . 0.0 106.901 144.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.512 HD13 ' CE1' ' A' ' 4' ' ' PHE 0.27 3.5 mp 61.68 7.71 2.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 116.345 -1.788 . . . . 0.0 112.097 -137.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -51.48 -15.66 0.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 119.044 -2.285 . . . . 0.0 113.903 144.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.66 -23.42 21.89 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 120.019 1.281 . . . . 0.0 113.791 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.72 -26.63 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 C-N-CA 127.335 2.254 . . . . 0.0 109.804 165.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -25.81 64.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 119.918 -1.739 . . . . 0.0 113.477 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 127.245 2.218 . . . . 0.0 109.108 -156.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -148.77 136.67 20.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.104 1.361 . . . . 0.0 108.468 136.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.31 10.71 0.78 Allowed 'General case' 0 N--CA 1.474 0.758 0 O-C-N 118.681 -2.512 . . . . 0.0 116.317 66.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.08 -40.21 20.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 165.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -48.2 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.356 3.095 . . . . 0.0 119.356 173.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -113.9 -8.59 13.12 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.134 1.773 . . . . 0.0 114.96 173.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.66 ' HA ' HD23 ' A' ' 11' ' ' LEU . 20.9 mmtm -71.73 -30.35 65.53 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.215 -2.178 . . . . 0.0 109.089 153.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -12.28 53.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.237 1.415 . . . . 0.0 114.442 164.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -94.69 -31.4 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.927 0.891 . . . . 0.0 111.097 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -81.68 -14.65 56.35 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 176.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.507 -1.37 . . . . 0.0 109.383 170.717 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -170.1 -162.97 0.33 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 129.422 3.089 . . . . 0.0 105.652 -167.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.619 14.9 m-85 -36.9 60.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 N-CA-C 126.494 5.738 . . . . 0.0 126.494 -117.055 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.528 28.0 p30 -109.58 26.49 10.58 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 117.826 -3.046 . . . . 0.0 116.989 126.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.405 0.5 OUTLIER -118.98 8.44 11.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 169.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.356 0.0 OUTLIER -105.86 -14.73 15.13 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.218 -1.551 . . . . 0.0 114.538 153.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.38 5.49 4.56 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 120.433 -1.417 . . . . 0.0 112.179 154.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -92.54 -48.65 6.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.093 1.757 . . . . 0.0 112.647 156.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mt -65.07 -36.16 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.089 0.956 . . . . 0.0 113.121 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.299 0.0 OUTLIER -80.63 16.64 1.32 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 178.315 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 O-C-N 119.456 -2.027 . . . . 0.0 109.703 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.283 11.0 mmm180 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 119.016 2.969 . . . . 0.0 119.016 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.636 0.0 OUTLIER -113.54 -123.81 0.28 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 118.734 2.864 . . . . 0.0 118.734 170.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.562 15.4 m-30 -52.39 25.64 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.589 1 N-CA-C 128.026 6.306 . . . . 0.0 128.026 -126.376 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.417 10.7 p30 -103.8 20.58 17.81 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 132.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.765 HD22 ' H ' ' A' ' 7' ' ' LEU 0.492 0.0 OUTLIER -97.77 164.66 12.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.603 -2.561 . . . . 0.0 113.482 122.746 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 6' ' ' LEU . 6.5 mp 64.94 11.39 6.98 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 118.904 -2.372 . . . . 0.0 114.311 -142.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -81.44 28.49 0.39 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 119.63 -1.919 . . . . 0.0 110.872 144.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -103.1 -15.0 16.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.28 1.432 . . . . 0.0 114.712 148.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.302 12.4 mt -82.27 -34.82 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.16 0.984 . . . . 0.0 109.26 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.315 1.0 OUTLIER -72.39 66.42 0.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.292 -2.755 . . . . 0.0 114.055 138.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 N--CA 1.484 1.242 0 C-N-CA 125.417 1.487 . . . . 0.0 113.04 153.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 122.176 0.989 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.326 0.5 OUTLIER -104.07 -138.77 0.36 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 115.258 -2.306 . . . . 0.0 109.368 175.503 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.611 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.589 14.6 m-30 -50.15 57.7 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 1 N-CA-C 127.095 5.961 . . . . 0.0 127.095 -139.348 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.366 22.6 p30 -124.09 34.52 5.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 118.518 -2.614 . . . . 0.0 116.199 127.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.333 0.0 OUTLIER -123.14 -4.61 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 176.037 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -93.01 -22.07 19.37 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.258 -1.526 . . . . 0.0 112.395 154.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HA ' HD23 ' A' ' 11' ' ' LEU 0.261 0.0 OUTLIER -81.59 17.69 1.37 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 125.021 1.329 . . . . 0.0 111.542 158.738 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' HB3' HH11 ' A' ' 9' ' ' ARG . 0.5 OUTLIER -102.25 -39.78 7.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.95 1.7 . . . . 0.0 114.343 145.581 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.45 -22.78 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.147 -0.97 . . . . 0.0 112.305 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.96 -13.84 29.2 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 163.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -135.225 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 83.29 1.58 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 115.0 -2.429 . . . . 0.0 107.783 -172.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.562 12.7 m-30 -179.33 60.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.472 -2.149 . . . . 0.0 116.727 110.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -138.64 25.58 2.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 111.289 -2.687 . . . . 0.0 112.68 146.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.327 0.2 OUTLIER -100.94 -27.62 13.2 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 161.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.495 HD22 ' CD1' ' A' ' 4' ' ' PHE 0.322 0.2 OUTLIER -72.78 -35.37 67.4 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.426 -1.421 . . . . 0.0 114.169 173.569 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -80.92 21.73 0.67 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.639 -1.913 . . . . 0.0 115.048 166.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -106.9 -34.01 7.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.108 0.563 . . . . 0.0 112.323 155.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.01 -43.09 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.542 0.737 . . . . 0.0 110.058 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -5.83 44.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 117.452 -1.261 . . . . 0.0 113.551 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 121.125 1.784 . . . . 0.0 111.091 -169.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.558 ' HB2' ' CD1' ' A' ' 4' ' ' PHE 0.301 0.0 OUTLIER -149.5 99.93 2.95 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 115.783 -2.056 . . . . 0.0 114.664 152.438 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.827 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.351 2.5 m-85 -175.23 72.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.237 1 N-CA-C 122.693 4.331 . . . . 0.0 122.693 75.817 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.266 31.7 p-10 -123.26 29.86 6.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 117.029 -3.545 . . . . 0.0 117.299 135.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.0 OUTLIER -113.59 15.68 18.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 169.009 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -122.23 -20.77 6.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 161.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.3 mmmt -67.08 -36.12 81.28 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.421 1.464 . . . . 0.0 108.694 166.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -28.49 28.44 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -90.66 -38.37 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 120.108 1.322 . . . . 0.0 111.661 175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -80.1 4.13 18.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.406 1.483 . . . . 0.0 114.643 -176.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.303 1.041 . . . . 0.0 110.219 -166.832 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.422 0.0 OUTLIER -131.85 93.53 3.32 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 119.882 -1.761 . . . . 0.0 113.818 145.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.512 3.4 m-30 -177.85 36.75 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.613 1 N-CA-C 124.378 4.955 . . . . 0.0 124.378 103.709 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.329 11.7 p-10 -114.01 52.91 0.8 Allowed 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.642 -3.161 . . . . 0.0 113.846 141.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.258 0.0 OUTLIER -133.49 -2.13 3.09 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 170.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 -17.49 12.24 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.184 1.394 . . . . 0.0 112.564 163.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -61.02 -8.2 3.07 Favored 'General case' 0 CA--C 1.569 1.685 0 O-C-N 120.507 -1.371 . . . . 0.0 112.812 146.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -96.05 -34.88 11.57 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 128.321 2.648 . . . . 0.0 116.005 164.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 pt -74.26 -23.56 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 122.505 2.412 . . . . 0.0 113.421 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -25.79 63.2 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.746 -1.221 . . . . 0.0 113.214 163.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 127.889 2.476 . . . . 0.0 113.301 -166.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -164.42 -152.98 0.19 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.491 2.716 . . . . 0.0 105.865 -172.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.556 10.3 m-85 -34.9 70.25 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.481 1 N-CA-C 127.423 6.083 . . . . 0.0 127.423 -121.178 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.419 12.4 p30 -112.33 -1.39 15.11 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 124.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.309 0.0 OUTLIER -95.59 -3.56 46.18 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 -161.437 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -13.61 60.96 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.427 -1.421 . . . . 0.0 112.913 153.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' A' ' 11' ' ' LEU . 6.6 mmmt -83.65 -20.58 33.35 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.917 165.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -61.55 -54.03 48.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 118.945 -2.347 . . . . 0.0 114.224 151.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.02 -41.58 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 CA-C-N 120.708 1.595 . . . . 0.0 113.055 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CD2' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.03 1.41 18.02 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -177.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.481 1.085 0 CA-C-N 119.942 1.246 . . . . 0.0 112.831 -157.704 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 6' ' ' LEU 0.364 0.0 OUTLIER -141.51 93.53 2.58 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 143.083 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.408 4.7 m-30 -171.43 51.65 0.02 OUTLIER 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 121.453 3.871 . . . . 0.0 121.453 102.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -126.79 27.49 6.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 118.026 -2.921 . . . . 0.0 110.898 143.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 3' ' ' ARG 0.356 0.1 OUTLIER -99.12 -16.4 18.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 160.895 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.84 -19.71 24.32 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 121.494 1.952 . . . . 0.0 113.15 160.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -79.84 12.4 2.7 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 121.48 -0.763 . . . . 0.0 111.277 158.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -108.31 -20.92 12.97 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.969 2.108 . . . . 0.0 113.91 157.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.27 -30.39 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-N 120.811 1.641 . . . . 0.0 111.412 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -94.68 47.8 1.18 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 156.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 125.136 1.374 . . . . 0.0 111.826 156.607 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -165.69 20.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 166.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CD2' HD22 ' A' ' 7' ' ' LEU 0.834 42.1 m-85 -86.6 23.37 1.67 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 121.337 3.829 . . . . 0.0 121.337 -178.432 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.439 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . 12.2 p-10 -127.87 54.01 1.74 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 129.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 6' ' ' LEU 0.278 0.0 OUTLIER -108.63 -23.2 11.91 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 118.375 -2.703 . . . . 0.0 113.435 157.674 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 4' ' ' PHE . 1.6 pt? -66.04 -40.17 90.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 178.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.704 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -69.84 -8.82 51.63 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.203 -0.935 . . . . 0.0 112.568 173.574 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -92.81 -35.03 13.62 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 116.042 -1.932 . . . . 0.0 113.738 165.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -30.31 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 122.302 2.319 . . . . 0.0 112.972 171.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.42 -4.02 46.22 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 124.834 1.254 . . . . 0.0 111.42 -170.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 122.773 1.273 . . . . 0.0 113.17 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.476 2.2 ttm180 -110.6 -133.62 0.34 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 116.196 -1.859 . . . . 0.0 110.557 -170.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.445 12.5 m-30 -62.47 54.34 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.353 1 N-CA-C 128.307 6.41 . . . . 0.0 128.307 -146.321 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.353 21.2 p30 -109.37 18.42 20.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 117.052 -3.53 . . . . 0.0 116.996 124.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.406 0.0 OUTLIER -104.59 -9.67 18.12 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 179.49 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt? -88.24 -23.51 23.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 119.263 -2.148 . . . . 0.0 113.056 154.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.285 0.8 OUTLIER -76.16 -4.42 41.57 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.144 165.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 -83.15 -38.05 22.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.905 -1.747 . . . . 0.0 115.118 151.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.274 47.6 mt -73.74 -22.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 121.637 2.017 . . . . 0.0 113.479 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.93 66.04 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.164 1.347 . . . . 0.0 114.454 169.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -150.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.305 3.6 tpt180 -97.4 -140.05 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.437 166.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -59.33 92.86 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 121.113 3.746 . . . . 0.0 121.113 -146.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -125.61 3.25 7.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 117.879 -3.013 . . . . 0.0 112.17 105.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.331 0.0 OUTLIER -74.86 -2.98 29.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 117.734 -3.104 . . . . 0.0 117.889 179.698 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.516 HD22 HD12 ' A' ' 10' ' ' ILE . 4.3 mt -98.76 -20.35 16.95 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 119.744 -1.847 . . . . 0.0 114.013 161.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HA ' HD23 ' A' ' 11' ' ' LEU 0.38 0.0 OUTLIER -72.06 4.0 3.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 151.802 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -94.32 -30.52 14.48 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.945 1.698 . . . . 0.0 113.851 157.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.516 HD12 HD22 ' A' ' 7' ' ' LEU . 80.6 mt -70.88 -36.18 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.32 0.964 . . . . 0.0 111.221 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.73 -16.22 48.85 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 O-C-N 121.0 -1.062 . . . . 0.0 111.534 172.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 122.025 0.917 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -144.7 -148.45 0.24 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 115.285 -2.293 . . . . 0.0 108.798 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.491 10.3 m-30 -40.51 46.51 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.993 1 N-CA-C 127.526 6.121 . . . . 0.0 127.526 -142.943 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.258 31.2 p30 -111.43 29.3 7.95 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 117.762 -3.086 . . . . 0.0 115.082 124.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.0 OUTLIER -106.25 -7.25 17.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 119.504 -1.998 . . . . 0.0 115.52 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.8 -11.1 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.038 -1.664 . . . . 0.0 114.622 168.234 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HA ' HD23 ' A' ' 11' ' ' LEU . 1.2 mmmt -83.38 4.25 28.25 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.422 -0.799 . . . . 0.0 110.411 152.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -85.08 -48.0 9.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.577 -1.327 . . . . 0.0 111.363 151.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.43 -42.06 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.54 -3.23 29.65 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 179.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.935 -170.503 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.574 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.262 0.0 OUTLIER -149.78 -134.6 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 130.314 3.445 . . . . 0.0 104.537 -173.334 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.624 9.3 m-85 -55.6 71.78 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.595 1 N-CA-C 126.424 5.713 . . . . 0.0 126.424 -124.486 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.286 33.6 p30 -122.8 17.83 10.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 116.889 -3.632 . . . . 0.0 117.595 124.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.412 0.0 OUTLIER -106.44 5.71 29.64 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 118.522 2.786 . . . . 0.0 118.522 -174.072 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 0.2 OUTLIER -84.43 -30.5 25.27 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.9 154.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.365 0.0 OUTLIER -64.49 2.02 0.7 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 155.16 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -104.64 -33.22 8.58 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 127.61 2.364 . . . . 0.0 116.182 160.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -69.04 -27.79 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 CA-C-N 122.947 2.612 . . . . 0.0 111.692 166.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.74 -28.59 62.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 109.696 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 C-N-CA 127.063 2.145 . . . . 0.0 110.525 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.459 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -152.65 113.56 4.16 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.858 1.263 . . . . 0.0 107.848 136.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' LEU . 3.2 m-85 -151.09 72.72 1.07 Allowed 'General case' 0 N--CA 1.48 1.031 0 O-C-N 117.35 -3.343 . . . . 0.0 117.911 77.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -133.83 -39.46 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 119.203 -2.186 . . . . 0.0 113.052 155.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.03 13.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 168.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 4' ' ' PHE 0.261 0.0 OUTLIER -127.98 -20.36 3.84 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 163.345 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.23 -3.49 5.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.977 -2.327 . . . . 0.0 113.286 148.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -96.81 -18.14 19.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.478 1.511 . . . . 0.0 113.74 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -89.21 -41.74 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 110.849 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 8' ' ' LYS 0.266 0.0 OUTLIER -68.07 13.28 0.09 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.44 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm . . . . . 0 N--CA 1.472 0.663 0 O-C-N 118.86 -2.4 . . . . 0.0 110.935 169.265 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.325 0.0 OUTLIER -146.08 101.25 3.5 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.878 140.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.505 2.9 m-30 -170.17 30.87 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.72 1 N-CA-C 126.009 5.559 . . . . 0.0 126.009 102.603 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -86.3 -12.34 49.72 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 117.513 -3.242 . . . . 0.0 113.522 149.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.472 0.0 OUTLIER -88.67 -20.22 25.16 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.561 -168.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.335 0.3 OUTLIER -86.96 -20.81 26.77 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.51 -1.994 . . . . 0.0 113.447 152.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.7 14.38 0.65 Allowed 'General case' 0 CA--C 1.562 1.43 0 O-C-N 120.656 -1.278 . . . . 0.0 113.971 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -118.89 -30.93 4.92 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 130.121 3.368 . . . . 0.0 111.855 166.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.44 -47.01 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 119.706 1.139 . . . . 0.0 111.227 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.57 60.78 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.084 1.354 . . . . 0.0 109.685 169.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.952 0.406 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.514 ' HB2' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -154.08 106.81 2.85 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.508 105.199 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.469 4.7 m-30 -173.94 43.23 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 110.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.93 42.33 3.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.27 -2.769 . . . . 0.0 108.457 142.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 3' ' ' ARG 0.274 0.3 OUTLIER -110.48 -22.05 11.86 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.078 -2.264 . . . . 0.0 115.647 157.393 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -10.08 53.43 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 120.994 1.724 . . . . 0.0 113.555 162.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 18.3 1.51 Allowed 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.448 -1.408 . . . . 0.0 113.09 151.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -128.92 11.49 6.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.966 2.506 . . . . 0.0 113.442 158.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 96.2 mt -98.53 -39.93 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.412 160.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.47 79.27 8.96 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.663 -1.273 . . . . 0.0 109.083 145.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 125.184 1.394 . . . . 0.0 111.701 170.674 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.478 1.5 mtp180 -102.95 -145.28 0.36 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.932 171.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.289 12.0 m-30 -54.74 70.28 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.022 1 N-CA-C 125.188 5.255 . . . . 0.0 125.188 -140.362 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -109.52 6.71 24.29 Favored 'General case' 0 C--O 1.211 -0.974 0 O-C-N 117.012 -3.555 . . . . 0.0 111.552 124.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.311 0.0 OUTLIER -95.23 -10.65 29.76 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 118.996 -2.315 . . . . 0.0 116.205 -172.294 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -83.17 -25.61 31.68 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 119.239 -2.163 . . . . 0.0 110.501 153.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.617 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -74.11 2.26 9.31 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.592 0.757 . . . . 0.0 112.159 162.297 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -98.05 -37.04 9.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.813 2.045 . . . . 0.0 112.722 159.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.21 -27.04 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 120.851 1.66 . . . . 0.0 112.507 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.75 -16.36 64.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 171.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 pttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 113.306 -154.23 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 120.562 0.22 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 56.83 14.62 1.9 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 1.7 tpt85 -88.14 -122.82 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 126.792 2.037 . . . . 0.0 112.652 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 3' ' ' ARG 0.388 13.2 m-30 -64.69 53.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 1 N-CA-C 122.164 4.135 . . . . 0.0 122.164 -148.52 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -110.45 -24.56 10.53 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.263 129.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.287 0.0 OUTLIER -61.74 -9.36 6.26 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 118.556 2.798 . . . . 0.0 118.556 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.78 -20.2 20.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 118.889 -2.382 . . . . 0.0 115.548 157.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -5.06 26.3 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.773 -1.83 . . . . 0.0 110.778 157.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -91.4 -33.05 15.41 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 114.487 162.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.51 -26.28 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.51 1.959 . . . . 0.0 112.13 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -9.91 59.01 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? . . . . . 0 N--CA 1.477 0.887 0 C-N-CA 125.959 1.703 . . . . 0.0 114.983 -155.367 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.263 2.5 t . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 123.03 1.395 . . . . 0.0 113.891 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' O ' HD12 ' A' ' 6' ' ' LEU 0.266 16.0 mmt180 -94.11 -2.88 52.06 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -139.1 82.13 1.88 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 156.104 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -167.15 71.96 0.12 Allowed 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 84.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.462 2.0 m-20 -124.21 54.73 1.33 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 125.092 2.377 . . . . 0.0 112.855 116.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 2' ' ' ARG 0.273 0.0 OUTLIER -129.11 159.03 37.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.7 136.841 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 3.8 mp 70.21 9.26 6.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 116.141 -1.885 . . . . 0.0 113.293 -133.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.97 29.23 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 119.739 -1.851 . . . . 0.0 112.797 146.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.0 ptt85 -74.54 -10.79 59.89 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.1 mm -97.2 -29.75 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 126.411 1.884 . . . . 0.0 109.637 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -18.83 15.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.245 2.218 . . . . 0.0 114.659 164.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.931 0 C-N-CA 126.083 1.753 . . . . 0.0 113.86 -167.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.333 7.6 p . . . . . 0 C--O 1.214 -0.811 0 CA-C-O 124.432 2.063 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.765 HH21 HD23 ' A' ' 6' ' ' LEU 0.3 0.4 OUTLIER 53.81 47.56 23.35 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 127.089 2.156 . . . . 0.0 113.432 -164.95 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.637 0.0 OUTLIER -126.9 -111.58 0.29 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 164.253 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.512 ' CE1' HD13 ' A' ' 7' ' ' LEU 0.484 12.2 m-30 -56.82 39.11 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.825 1 N-CA-C 125.436 5.347 . . . . 0.0 125.436 -130.181 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.412 10.0 p30 -107.97 51.34 0.74 Allowed 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 125.421 2.534 . . . . 0.0 113.888 121.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.765 HD23 HH21 ' A' ' 2' ' ' ARG . 1.4 pp -137.57 161.04 37.5 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 129.711 3.204 . . . . 0.0 106.901 144.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.512 HD13 ' CE1' ' A' ' 4' ' ' PHE 0.27 3.5 mp 61.68 7.71 2.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 116.345 -1.788 . . . . 0.0 112.097 -137.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 pttm -51.48 -15.66 0.46 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 119.044 -2.285 . . . . 0.0 113.903 144.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.66 -23.42 21.89 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 120.019 1.281 . . . . 0.0 113.791 172.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.72 -26.63 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 C-N-CA 127.335 2.254 . . . . 0.0 109.804 165.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -25.81 64.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 119.918 -1.739 . . . . 0.0 113.477 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 127.245 2.218 . . . . 0.0 109.108 -156.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 120.331 0.11 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -157.41 24.88 0.29 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -172.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -148.77 136.67 20.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.104 1.361 . . . . 0.0 108.468 136.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.31 10.71 0.78 Allowed 'General case' 0 N--CA 1.474 0.758 0 O-C-N 118.681 -2.512 . . . . 0.0 116.317 66.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.08 -40.21 20.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 165.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -48.2 -11.86 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 119.356 3.095 . . . . 0.0 119.356 173.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -113.9 -8.59 13.12 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.134 1.773 . . . . 0.0 114.96 173.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.66 ' HA ' HD23 ' A' ' 11' ' ' LEU . 20.9 mmtm -71.73 -30.35 65.53 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.215 -2.178 . . . . 0.0 109.089 153.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -12.28 53.28 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.237 1.415 . . . . 0.0 114.442 164.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -94.69 -31.4 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.927 0.891 . . . . 0.0 111.097 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -81.68 -14.65 56.35 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 176.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.507 -1.37 . . . . 0.0 109.383 170.717 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 119.183 -0.437 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -28.65 73.47 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 1 C-N-CA 131.785 4.034 . . . . 0.0 115.346 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -170.1 -162.97 0.33 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 129.422 3.089 . . . . 0.0 105.652 -167.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.619 14.9 m-85 -36.9 60.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 1 N-CA-C 126.494 5.738 . . . . 0.0 126.494 -117.055 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.528 28.0 p30 -109.58 26.49 10.58 Favored 'General case' 0 N--CA 1.509 2.512 0 O-C-N 117.826 -3.046 . . . . 0.0 116.989 126.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.405 0.5 OUTLIER -118.98 8.44 11.64 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 169.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.356 0.0 OUTLIER -105.86 -14.73 15.13 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.218 -1.551 . . . . 0.0 114.538 153.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.38 5.49 4.56 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 120.433 -1.417 . . . . 0.0 112.179 154.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -92.54 -48.65 6.51 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.093 1.757 . . . . 0.0 112.647 156.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mt -65.07 -36.16 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.089 0.956 . . . . 0.0 113.121 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.299 0.0 OUTLIER -80.63 16.64 1.32 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 178.315 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 O-C-N 119.456 -2.027 . . . . 0.0 109.703 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.283 11.0 mmm180 47.72 32.58 2.65 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 119.016 2.969 . . . . 0.0 119.016 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.636 0.0 OUTLIER -113.54 -123.81 0.28 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 118.734 2.864 . . . . 0.0 118.734 170.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.562 15.4 m-30 -52.39 25.64 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.589 1 N-CA-C 128.026 6.306 . . . . 0.0 128.026 -126.376 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.417 10.7 p30 -103.8 20.58 17.81 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 132.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.765 HD22 ' H ' ' A' ' 7' ' ' LEU 0.492 0.0 OUTLIER -97.77 164.66 12.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.603 -2.561 . . . . 0.0 113.482 122.746 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.765 ' H ' HD22 ' A' ' 6' ' ' LEU . 6.5 mp 64.94 11.39 6.98 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 118.904 -2.372 . . . . 0.0 114.311 -142.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -81.44 28.49 0.39 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 119.63 -1.919 . . . . 0.0 110.872 144.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -103.1 -15.0 16.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.28 1.432 . . . . 0.0 114.712 148.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.302 12.4 mt -82.27 -34.82 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 C-N-CA 124.16 0.984 . . . . 0.0 109.26 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.315 1.0 OUTLIER -72.39 66.42 0.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.292 -2.755 . . . . 0.0 114.055 138.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 N--CA 1.484 1.242 0 C-N-CA 125.417 1.487 . . . . 0.0 113.04 153.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.301 3.8 p . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 121.953 0.882 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.24 33.25 20.21 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.279 -166.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.326 0.5 OUTLIER -104.07 -138.77 0.36 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 115.258 -2.306 . . . . 0.0 109.368 175.503 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.611 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.589 14.6 m-30 -50.15 57.7 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.741 1 N-CA-C 127.095 5.961 . . . . 0.0 127.095 -139.348 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.366 22.6 p30 -124.09 34.52 5.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 118.518 -2.614 . . . . 0.0 116.199 127.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.333 0.0 OUTLIER -123.14 -4.61 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 176.037 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -93.01 -22.07 19.37 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 120.258 -1.526 . . . . 0.0 112.395 154.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HA ' HD23 ' A' ' 11' ' ' LEU 0.261 0.0 OUTLIER -81.59 17.69 1.37 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 125.021 1.329 . . . . 0.0 111.542 158.738 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' HB3' HH11 ' A' ' 9' ' ' ARG . 0.5 OUTLIER -102.25 -39.78 7.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.95 1.7 . . . . 0.0 114.343 145.581 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.45 -22.78 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 121.147 -0.97 . . . . 0.0 112.305 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.96 -13.84 29.2 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 163.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -135.225 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.324 1.4 m . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -160.76 -12.28 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 125.823 1.649 . . . . 0.0 114.016 170.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 83.29 1.58 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 115.0 -2.429 . . . . 0.0 107.783 -172.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.562 12.7 m-30 -179.33 60.12 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.472 -2.149 . . . . 0.0 116.727 110.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -138.64 25.58 2.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 111.289 -2.687 . . . . 0.0 112.68 146.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.327 0.2 OUTLIER -100.94 -27.62 13.2 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 161.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.495 HD22 ' CD1' ' A' ' 4' ' ' PHE 0.322 0.2 OUTLIER -72.78 -35.37 67.4 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.426 -1.421 . . . . 0.0 114.169 173.569 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER -80.92 21.73 0.67 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.639 -1.913 . . . . 0.0 115.048 166.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -106.9 -34.01 7.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.108 0.563 . . . . 0.0 112.323 155.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.01 -43.09 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.542 0.737 . . . . 0.0 110.058 170.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -5.83 44.34 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 117.452 -1.261 . . . . 0.0 113.551 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-N 121.125 1.784 . . . . 0.0 111.091 -169.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.983 0.897 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -147.02 14.81 1.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.558 ' HB2' ' CD1' ' A' ' 4' ' ' PHE 0.301 0.0 OUTLIER -149.5 99.93 2.95 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 115.783 -2.056 . . . . 0.0 114.664 152.438 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.827 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.351 2.5 m-85 -175.23 72.51 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.237 1 N-CA-C 122.693 4.331 . . . . 0.0 122.693 75.817 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.266 31.7 p-10 -123.26 29.86 6.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 117.029 -3.545 . . . . 0.0 117.299 135.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.0 OUTLIER -113.59 15.68 18.87 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 169.009 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -122.23 -20.77 6.08 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 161.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.3 mmmt -67.08 -36.12 81.28 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.421 1.464 . . . . 0.0 108.694 166.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -28.49 28.44 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -90.66 -38.37 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 120.108 1.322 . . . . 0.0 111.661 175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -80.1 4.13 18.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.406 1.483 . . . . 0.0 114.643 -176.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.303 1.041 . . . . 0.0 110.219 -166.832 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 122.77 1.272 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 47.64 9.33 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 155.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.422 0.0 OUTLIER -131.85 93.53 3.32 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 119.882 -1.761 . . . . 0.0 113.818 145.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.512 3.4 m-30 -177.85 36.75 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.613 1 N-CA-C 124.378 4.955 . . . . 0.0 124.378 103.709 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.329 11.7 p-10 -114.01 52.91 0.8 Allowed 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.642 -3.161 . . . . 0.0 113.846 141.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.258 0.0 OUTLIER -133.49 -2.13 3.09 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 170.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 -17.49 12.24 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.184 1.394 . . . . 0.0 112.564 163.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -61.02 -8.2 3.07 Favored 'General case' 0 CA--C 1.569 1.685 0 O-C-N 120.507 -1.371 . . . . 0.0 112.812 146.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -96.05 -34.88 11.57 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 128.321 2.648 . . . . 0.0 116.005 164.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 pt -74.26 -23.56 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 122.505 2.412 . . . . 0.0 113.421 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -25.79 63.2 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.746 -1.221 . . . . 0.0 113.214 163.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 127.889 2.476 . . . . 0.0 113.301 -166.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 117.877 -1.059 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -49.07 80.24 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 129.286 3.035 . . . . 0.0 115.557 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -164.42 -152.98 0.19 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.491 2.716 . . . . 0.0 105.865 -172.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.556 10.3 m-85 -34.9 70.25 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.481 1 N-CA-C 127.423 6.083 . . . . 0.0 127.423 -121.178 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.419 12.4 p30 -112.33 -1.39 15.11 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 124.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.309 0.0 OUTLIER -95.59 -3.56 46.18 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 -161.437 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -13.61 60.96 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.427 -1.421 . . . . 0.0 112.913 153.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' A' ' 11' ' ' LEU . 6.6 mmmt -83.65 -20.58 33.35 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 116.962 -1.494 . . . . 0.0 111.917 165.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -61.55 -54.03 48.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 118.945 -2.347 . . . . 0.0 114.224 151.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.02 -41.58 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 CA-C-N 120.708 1.595 . . . . 0.0 113.055 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CD2' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.03 1.41 18.02 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -177.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.481 1.085 0 CA-C-N 119.942 1.246 . . . . 0.0 112.831 -157.704 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -111.11 10.2 21.97 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 158.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 6' ' ' LEU 0.364 0.0 OUTLIER -141.51 93.53 2.58 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 143.083 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.408 4.7 m-30 -171.43 51.65 0.02 OUTLIER 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 121.453 3.871 . . . . 0.0 121.453 102.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -126.79 27.49 6.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 118.026 -2.921 . . . . 0.0 110.898 143.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 3' ' ' ARG 0.356 0.1 OUTLIER -99.12 -16.4 18.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 160.895 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.84 -19.71 24.32 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 121.494 1.952 . . . . 0.0 113.15 160.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -79.84 12.4 2.7 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 121.48 -0.763 . . . . 0.0 111.277 158.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 -108.31 -20.92 12.97 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.969 2.108 . . . . 0.0 113.91 157.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.27 -30.39 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 CA-C-N 120.811 1.641 . . . . 0.0 111.412 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -94.68 47.8 1.18 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 156.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp . . . . . 0 N--CA 1.488 1.453 0 C-N-CA 125.136 1.374 . . . . 0.0 111.826 156.607 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.254 4.5 t . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 123.777 1.751 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 55.28 32.45 18.65 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 110.957 -2.838 . . . . 0.0 115.016 -170.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -165.69 20.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 166.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CD2' HD22 ' A' ' 7' ' ' LEU 0.834 42.1 m-85 -86.6 23.37 1.67 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 121.337 3.829 . . . . 0.0 121.337 -178.432 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' HB2' ' HD2' ' A' ' 8' ' ' LYS . 12.2 p-10 -127.87 54.01 1.74 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 129.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 6' ' ' LEU 0.278 0.0 OUTLIER -108.63 -23.2 11.91 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 118.375 -2.703 . . . . 0.0 113.435 157.674 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 4' ' ' PHE . 1.6 pt? -66.04 -40.17 90.78 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 178.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.704 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -69.84 -8.82 51.63 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.203 -0.935 . . . . 0.0 112.568 173.574 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER -92.81 -35.03 13.62 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 116.042 -1.932 . . . . 0.0 113.738 165.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -30.31 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 122.302 2.319 . . . . 0.0 112.972 171.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.42 -4.02 46.22 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp . . . . . 0 N--CA 1.485 1.291 0 C-N-CA 124.834 1.254 . . . . 0.0 111.42 -170.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.758 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 37.38 35.88 0.06 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.45 1.9 . . . . 0.0 113.17 -169.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.758 ' H ' HG12 ' A' ' 1' ' ' VAL 0.476 2.2 ttm180 -110.6 -133.62 0.34 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 116.196 -1.859 . . . . 0.0 110.557 -170.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 7' ' ' LEU 0.445 12.5 m-30 -62.47 54.34 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.353 1 N-CA-C 128.307 6.41 . . . . 0.0 128.307 -146.321 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.353 21.2 p30 -109.37 18.42 20.46 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 117.052 -3.53 . . . . 0.0 116.996 124.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.406 0.0 OUTLIER -104.59 -9.67 18.12 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 179.49 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt? -88.24 -23.51 23.51 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 119.263 -2.148 . . . . 0.0 113.056 154.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.285 0.8 OUTLIER -76.16 -4.42 41.57 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.144 165.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 -83.15 -38.05 22.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.905 -1.747 . . . . 0.0 115.118 151.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.274 47.6 mt -73.74 -22.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 121.637 2.017 . . . . 0.0 113.479 -177.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.93 66.04 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.164 1.347 . . . . 0.0 114.454 169.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -150.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.268 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER 41.63 31.7 0.21 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.036 1.734 . . . . 0.0 113.734 -163.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.305 3.6 tpt180 -97.4 -140.05 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.437 166.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -59.33 92.86 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 121.113 3.746 . . . . 0.0 121.113 -146.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -125.61 3.25 7.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 117.879 -3.013 . . . . 0.0 112.17 105.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.331 0.0 OUTLIER -74.86 -2.98 29.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 117.734 -3.104 . . . . 0.0 117.889 179.698 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.516 HD22 HD12 ' A' ' 10' ' ' ILE . 4.3 mt -98.76 -20.35 16.95 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 119.744 -1.847 . . . . 0.0 114.013 161.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HA ' HD23 ' A' ' 11' ' ' LEU 0.38 0.0 OUTLIER -72.06 4.0 3.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 151.802 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -94.32 -30.52 14.48 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.945 1.698 . . . . 0.0 113.851 157.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.516 HD12 HD22 ' A' ' 7' ' ' LEU . 80.6 mt -70.88 -36.18 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.32 0.964 . . . . 0.0 111.221 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.73 -16.22 48.85 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 O-C-N 121.0 -1.062 . . . . 0.0 111.534 172.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -63.85 82.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.397 1.079 . . . . 0.0 109.859 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.351 0.0 OUTLIER -144.7 -148.45 0.24 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 115.285 -2.293 . . . . 0.0 108.798 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.491 10.3 m-30 -40.51 46.51 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.993 1 N-CA-C 127.526 6.121 . . . . 0.0 127.526 -142.943 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.258 31.2 p30 -111.43 29.3 7.95 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 117.762 -3.086 . . . . 0.0 115.082 124.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.0 OUTLIER -106.25 -7.25 17.91 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 119.504 -1.998 . . . . 0.0 115.52 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -109.8 -11.1 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.038 -1.664 . . . . 0.0 114.622 168.234 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HA ' HD23 ' A' ' 11' ' ' LEU . 1.2 mmmt -83.38 4.25 28.25 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.422 -0.799 . . . . 0.0 110.411 152.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -85.08 -48.0 9.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.577 -1.327 . . . . 0.0 111.363 151.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.43 -42.06 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.54 -3.23 29.65 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 179.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.935 -170.503 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 116.681 -1.628 . . . . 0.0 111.488 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 tpt85 -33.79 72.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 130.937 3.695 . . . . 0.0 115.925 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.574 ' HA ' HD12 ' A' ' 6' ' ' LEU 0.262 0.0 OUTLIER -149.78 -134.6 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 130.314 3.445 . . . . 0.0 104.537 -173.334 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.624 9.3 m-85 -55.6 71.78 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.595 1 N-CA-C 126.424 5.713 . . . . 0.0 126.424 -124.486 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.286 33.6 p30 -122.8 17.83 10.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 116.889 -3.632 . . . . 0.0 117.595 124.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 3' ' ' ARG 0.412 0.0 OUTLIER -106.44 5.71 29.64 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 118.522 2.786 . . . . 0.0 118.522 -174.072 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.312 0.2 OUTLIER -84.43 -30.5 25.27 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.9 154.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.365 0.0 OUTLIER -64.49 2.02 0.7 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 155.16 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -104.64 -33.22 8.58 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 127.61 2.364 . . . . 0.0 116.182 160.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -69.04 -27.79 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 CA-C-N 122.947 2.612 . . . . 0.0 111.692 166.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.74 -28.59 62.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.846 1.258 . . . . 0.0 109.696 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 C-N-CA 127.063 2.145 . . . . 0.0 110.525 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.292 10.6 p . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 123.206 1.479 . . . . 0.0 112.085 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.96 51.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 156.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.459 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -152.65 113.56 4.16 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.858 1.263 . . . . 0.0 107.848 136.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' LEU . 3.2 m-85 -151.09 72.72 1.07 Allowed 'General case' 0 N--CA 1.48 1.031 0 O-C-N 117.35 -3.343 . . . . 0.0 117.911 77.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -133.83 -39.46 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 119.203 -2.186 . . . . 0.0 113.052 155.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.03 13.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 168.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 4' ' ' PHE 0.261 0.0 OUTLIER -127.98 -20.36 3.84 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 163.345 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.23 -3.49 5.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 118.977 -2.327 . . . . 0.0 113.286 148.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -96.81 -18.14 19.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.478 1.511 . . . . 0.0 113.74 167.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mm -89.21 -41.74 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 110.849 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 8' ' ' LYS 0.266 0.0 OUTLIER -68.07 13.28 0.09 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.44 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm . . . . . 0 N--CA 1.472 0.663 0 O-C-N 118.86 -2.4 . . . . 0.0 110.935 169.265 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.0 p . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -129.32 33.63 4.5 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 161.025 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.325 0.0 OUTLIER -146.08 101.25 3.5 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.878 140.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.505 2.9 m-30 -170.17 30.87 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.72 1 N-CA-C 126.009 5.559 . . . . 0.0 126.009 102.603 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -86.3 -12.34 49.72 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 117.513 -3.242 . . . . 0.0 113.522 149.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.472 0.0 OUTLIER -88.67 -20.22 25.16 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.561 -168.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.335 0.3 OUTLIER -86.96 -20.81 26.77 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.51 -1.994 . . . . 0.0 113.447 152.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.7 14.38 0.65 Allowed 'General case' 0 CA--C 1.562 1.43 0 O-C-N 120.656 -1.278 . . . . 0.0 113.971 161.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -118.89 -30.93 4.92 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 130.121 3.368 . . . . 0.0 111.855 166.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.44 -47.01 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 119.706 1.139 . . . . 0.0 111.227 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.57 60.78 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.084 1.354 . . . . 0.0 109.685 169.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.313 4.4 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 122.152 0.977 . . . . 0.0 113.15 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 103.59 87.2 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 131.689 3.996 . . . . 0.0 110.233 -162.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.514 ' HB2' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -154.08 106.81 2.85 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.508 105.199 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.469 4.7 m-30 -173.94 43.23 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 110.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.93 42.33 3.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.27 -2.769 . . . . 0.0 108.457 142.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 3' ' ' ARG 0.274 0.3 OUTLIER -110.48 -22.05 11.86 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.078 -2.264 . . . . 0.0 115.647 157.393 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -10.08 53.43 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 120.994 1.724 . . . . 0.0 113.555 162.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 18.3 1.51 Allowed 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.448 -1.408 . . . . 0.0 113.09 151.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -128.92 11.49 6.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.966 2.506 . . . . 0.0 113.442 158.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 96.2 mt -98.53 -39.93 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.412 160.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.47 79.27 8.96 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.663 -1.273 . . . . 0.0 109.083 145.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 125.184 1.394 . . . . 0.0 111.701 170.674 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 2' ' ' ARG 0.307 11.8 p . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.717 ' H ' HG13 ' A' ' 1' ' ' VAL . 1.3 tpt85 50.47 41.43 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.476 2.31 . . . . 0.0 113.681 -174.367 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.478 1.5 mtp180 -102.95 -145.28 0.36 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.932 171.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . 0.289 12.0 m-30 -54.74 70.28 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.022 1 N-CA-C 125.188 5.255 . . . . 0.0 125.188 -140.362 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -109.52 6.71 24.29 Favored 'General case' 0 C--O 1.211 -0.974 0 O-C-N 117.012 -3.555 . . . . 0.0 111.552 124.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.311 0.0 OUTLIER -95.23 -10.65 29.76 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 118.996 -2.315 . . . . 0.0 116.205 -172.294 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -83.17 -25.61 31.68 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 119.239 -2.163 . . . . 0.0 110.501 153.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.617 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -74.11 2.26 9.31 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.592 0.757 . . . . 0.0 112.159 162.297 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -98.05 -37.04 9.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.813 2.045 . . . . 0.0 112.722 159.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.21 -27.04 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 120.851 1.66 . . . . 0.0 112.507 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.75 -16.36 64.09 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 171.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 pttt . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.196 1.398 . . . . 0.0 113.306 -154.23 . . . . . . . . 0 0 . 1 stop_ save_