data_6b34_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 6b34 _Structure_validation_residue.Date_analyzed 2017-12-01 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 ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 p30 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.88 -28.19 69.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -104.11 -36.86 7.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 CA--C 1.51 -0.58 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.405 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.5 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -175.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -96.03 -36.28 11.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.804 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.24 0.554 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.134 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.7 p30 . . . . . 0 C--O 1.226 -0.132 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.23 -34.64 76.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.6 -33.38 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 C--O 1.24 0.572 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.691 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--O 1.222 -0.387 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.86 -29.56 70.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -175.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -95.05 -36.35 11.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.91 0.386 . . . . 0.0 110.575 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.242 0.692 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.701 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.85 -32.56 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.245 0.822 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 179.541 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p30 . . . . . 0 C--O 1.223 -0.294 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.82 -34.75 78.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -97.94 -39.24 9.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.064 0.459 . . . . 0.0 111.68 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 C--O 1.243 0.761 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.085 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p30 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.61 -32.31 73.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -101.76 -37.36 8.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.971 0.415 . . . . 0.0 111.961 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 CA--C 1.509 -0.633 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.189 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.82 -37.25 86.02 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -96.84 -36.98 10.43 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.238 0.491 0 CA-C-O 122.147 0.975 . . . . 0.0 108.381 -179.17 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.81 -34.22 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -103.41 -38.5 7.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--O 1.244 0.78 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.255 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -92.86 101.28 13.64 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -125.89 -171.16 2.32 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.88 -28.19 69.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -104.11 -36.86 7.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.28 105.75 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.226 -0.175 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -168.4 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -90.7 92.54 8.87 Favored 'General case' 0 C--N 1.384 2.069 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -128.53 -171.19 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.5 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -175.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -96.03 -36.28 11.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.804 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.7 t -114.82 99.4 8.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -177.439 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . 0.404 ' CD1' ' C ' ' A' ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.83 112.83 24.53 Favored 'General case' 0 C--N 1.37 1.458 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -146.39 -171.64 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.23 -34.64 76.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.6 -33.38 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.04 106.95 21.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 CA--C 1.514 -0.43 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -172.828 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -95.06 148.71 22.05 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 124.275 1.03 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -113.08 -176.74 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.86 -29.56 70.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -175.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -95.05 -36.35 11.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.91 0.386 . . . . 0.0 110.575 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.05 98.66 6.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.079 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -93.23 99.49 12.04 Favored 'General case' 0 C--N 1.383 2.039 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -125.26 -172.38 2.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.85 -32.56 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -123.92 111.51 29.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 -178.438 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -91.48 98.75 11.87 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-O 120.887 0.375 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -105.41 -175.64 2.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.82 -34.75 78.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -97.94 -39.24 9.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.064 0.459 . . . . 0.0 111.68 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -111.39 98.93 7.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.216 -0.677 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -168.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -90.54 95.12 10.01 Favored 'General case' 0 C--N 1.384 2.083 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -130.64 -171.47 2.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.61 -32.31 73.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -101.76 -37.36 8.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.971 0.415 . . . . 0.0 111.961 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.19 103.73 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.168 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -95.04 112.4 24.11 Favored 'General case' 0 C--N 1.377 1.767 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -147.27 -170.39 3.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.82 -37.25 86.02 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -96.84 -36.98 10.43 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.8 108.0 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 122.147 0.975 . . . . 0.0 108.381 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -91.41 103.9 16.48 Favored 'General case' 0 C--N 1.381 1.964 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -131.57 -174.04 3.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.81 -34.22 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -103.41 -38.5 7.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.81 104.04 16.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.462 0.169 0 C-N-CA 123.794 0.837 . . . . 0.0 109.623 -172.605 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 p30 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.88 -28.19 69.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -104.11 -36.86 7.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 CA--C 1.51 -0.58 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.405 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.5 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -175.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -96.03 -36.28 11.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.804 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.24 0.554 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.134 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.7 p30 . . . . . 0 C--O 1.226 -0.132 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.23 -34.64 76.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.6 -33.38 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 C--O 1.24 0.572 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.691 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--O 1.222 -0.387 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.86 -29.56 70.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -175.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -95.05 -36.35 11.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.91 0.386 . . . . 0.0 110.575 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.242 0.692 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.701 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.85 -32.56 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -175.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.245 0.822 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 179.541 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p30 . . . . . 0 C--O 1.223 -0.294 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.82 -34.75 78.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -97.94 -39.24 9.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.064 0.459 . . . . 0.0 111.68 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 C--O 1.243 0.761 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.085 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p30 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.61 -32.31 73.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -101.76 -37.36 8.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.971 0.415 . . . . 0.0 111.961 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 CA--C 1.509 -0.633 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.189 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.82 -37.25 86.02 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -96.84 -36.98 10.43 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.238 0.491 0 CA-C-O 122.147 0.975 . . . . 0.0 108.381 -179.17 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.81 -34.22 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -103.41 -38.5 7.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--O 1.244 0.78 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.255 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -92.86 101.28 13.64 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -125.89 -171.16 2.32 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.88 -28.19 69.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -104.11 -36.86 7.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.28 105.75 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.226 -0.175 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -168.4 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -90.7 92.54 8.87 Favored 'General case' 0 C--N 1.384 2.069 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -128.53 -171.19 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.5 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -175.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -96.03 -36.28 11.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.804 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.7 t -114.82 99.4 8.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -177.439 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' DPN . . . . . 0.404 ' CD1' ' C ' ' A' ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.83 112.83 24.53 Favored 'General case' 0 C--N 1.37 1.458 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -146.39 -171.64 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.23 -34.64 76.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.6 -33.38 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.04 106.95 21.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 CA--C 1.514 -0.43 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -172.828 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -95.06 148.71 22.05 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 124.275 1.03 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -113.08 -176.74 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.86 -29.56 70.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -175.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -95.05 -36.35 11.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.91 0.386 . . . . 0.0 110.575 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.05 98.66 6.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.079 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -93.23 99.49 12.04 Favored 'General case' 0 C--N 1.383 2.039 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -125.26 -172.38 2.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.85 -32.56 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -175.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -123.92 111.51 29.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 -178.438 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -91.48 98.75 11.87 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-O 120.887 0.375 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -105.41 -175.64 2.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.82 -34.75 78.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -97.94 -39.24 9.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.064 0.459 . . . . 0.0 111.68 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -111.39 98.93 7.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.216 -0.677 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -168.937 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -90.54 95.12 10.01 Favored 'General case' 0 C--N 1.384 2.083 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -130.64 -171.47 2.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.61 -32.31 73.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -101.76 -37.36 8.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.971 0.415 . . . . 0.0 111.961 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.19 103.73 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.168 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -95.04 112.4 24.11 Favored 'General case' 0 C--N 1.377 1.767 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -147.27 -170.39 3.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.82 -37.25 86.02 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -96.84 -36.98 10.43 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.8 108.0 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 122.147 0.975 . . . . 0.0 108.381 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.913 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -91.41 103.9 16.48 Favored 'General case' 0 C--N 1.381 1.964 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -131.57 -174.04 3.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.81 -34.22 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -103.41 -38.5 7.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.81 104.04 16.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.462 0.169 0 C-N-CA 123.794 0.837 . . . . 0.0 109.623 -172.605 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 p30 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.88 -28.19 69.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -104.11 -36.86 7.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 CA--C 1.51 -0.58 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.405 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.5 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -175.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -96.03 -36.28 11.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.804 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.24 0.554 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.134 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.7 p30 . . . . . 0 C--O 1.226 -0.132 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.23 -34.64 76.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.6 -33.38 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 C--O 1.24 0.572 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.691 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--O 1.222 -0.387 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.86 -29.56 70.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -175.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -95.05 -36.35 11.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.91 0.386 . . . . 0.0 110.575 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.242 0.692 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.701 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.85 -32.56 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -175.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.245 0.822 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 179.541 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p30 . . . . . 0 C--O 1.223 -0.294 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.82 -34.75 78.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -97.94 -39.24 9.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.064 0.459 . . . . 0.0 111.68 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 C--O 1.243 0.761 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.085 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p30 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.61 -32.31 73.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -101.76 -37.36 8.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.971 0.415 . . . . 0.0 111.961 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 CA--C 1.509 -0.633 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.189 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.82 -37.25 86.02 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -96.84 -36.98 10.43 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.238 0.491 0 CA-C-O 122.147 0.975 . . . . 0.0 108.381 -179.17 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.81 -34.22 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -103.41 -38.5 7.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--O 1.244 0.78 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.255 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -92.86 101.28 13.64 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -125.89 -171.16 2.32 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.88 -28.19 69.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -104.11 -36.86 7.55 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.28 105.75 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.226 -0.175 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -168.4 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -90.7 92.54 8.87 Favored 'General case' 0 C--N 1.384 2.069 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -128.53 -171.19 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.5 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -175.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -96.03 -36.28 11.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.804 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.7 t -114.82 99.4 8.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -177.439 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . 0.404 ' CD1' ' C ' ' A' ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.83 112.83 24.53 Favored 'General case' 0 C--N 1.37 1.458 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -146.39 -171.64 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.23 -34.64 76.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.6 -33.38 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -109.04 106.95 21.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 CA--C 1.514 -0.43 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -172.828 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -95.06 148.71 22.05 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 124.275 1.03 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -113.08 -176.74 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.86 -29.56 70.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -175.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -95.05 -36.35 11.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.91 0.386 . . . . 0.0 110.575 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -117.05 98.66 6.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.079 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -93.23 99.49 12.04 Favored 'General case' 0 C--N 1.383 2.039 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -125.26 -172.38 2.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.85 -32.56 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -175.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -123.92 111.51 29.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 103.32 -2.845 . . . . 0.0 103.32 -178.438 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -91.48 98.75 11.87 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-O 120.887 0.375 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -105.41 -175.64 2.85 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.82 -34.75 78.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -97.94 -39.24 9.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.064 0.459 . . . . 0.0 111.68 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t -111.39 98.93 7.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--O 1.216 -0.677 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -168.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -90.54 95.12 10.01 Favored 'General case' 0 C--N 1.384 2.083 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -130.64 -171.47 2.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.61 -32.31 73.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -101.76 -37.36 8.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.971 0.415 . . . . 0.0 111.961 -175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -114.19 103.73 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.168 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -95.04 112.4 24.11 Favored 'General case' 0 C--N 1.377 1.767 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -147.27 -170.39 3.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.82 -37.25 86.02 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -96.84 -36.98 10.43 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.8 108.0 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 122.147 0.975 . . . . 0.0 108.381 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -175.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' BE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -91.41 103.9 16.48 Favored 'General case' 0 C--N 1.381 1.964 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -131.57 -174.04 3.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.81 -34.22 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -103.41 -38.5 7.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.81 104.04 16.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.462 0.169 0 C-N-CA 123.794 0.837 . . . . 0.0 109.623 -172.605 . . . . . . . . 0 0 . 1 stop_ save_