data_2me2_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 2me2 _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 ' 660' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.476 0.655 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -49.0 43.3 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.225 1.012 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.22 90.41 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.781 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.694 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.89 -10.06 57.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.715 -0.616 . . . . 0.0 111.348 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.89 -23.53 66.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.067 . . . . 0.0 108.284 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.7 m -92.87 -15.47 26.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.708 -0.62 . . . . 0.0 110.088 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.694 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.5 m95 -70.47 -32.02 69.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 109.643 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -49.09 -41.61 36.19 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.458 -0.776 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.7 -30.59 71.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.545 ' CD1' ' C ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -81.89 -35.74 28.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.491 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 5.6 m95 -63.07 -31.23 72.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 0.0 108.92 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.1 t -69.36 -28.29 66.08 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 121.833 0.825 . . . . 0.0 110.249 -179.026 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.482 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.2 mm -59.91 -46.74 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.2 t -48.99 -19.86 0.45 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.878 0.846 . . . . 0.0 109.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 675' ' ' ILE . 35.3 t30 -80.6 -38.79 28.71 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.815 0.817 . . . . 0.0 109.015 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.482 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -75.66 -27.75 58.45 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 121.456 0.646 . . . . 0.0 109.774 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.471 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 10.0 mt -74.13 -18.92 60.73 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.606 -0.684 . . . . 0.0 110.281 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.84 67.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.314 -0.866 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -75.79 -23.03 55.85 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.4 pt -119.08 -12.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.09 -1.006 . . . . 0.0 111.549 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 679' ' ' LEU . 4.8 ttpt . . . . . 0 C--N 1.299 -1.613 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.116 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.502 0.667 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -50.77 16.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.128 0.966 . . . . 0.0 110.356 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.06 90.48 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.715 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.711 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.8 -10.19 57.48 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.313 -179.62 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.07 -24.14 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.96 -1.087 . . . . 0.0 108.438 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 57.1 m -92.89 -15.85 25.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.728 -0.607 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.711 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 20.7 m95 -68.37 -32.08 71.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -50.73 -42.13 57.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.519 -0.738 . . . . 0.0 110.481 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.93 -27.82 69.4 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.6 tt -82.21 -34.19 29.04 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.106 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.584 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.13 -33.14 72.91 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -65.16 -31.63 72.92 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.047 0.927 . . . . 0.0 109.532 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.842 0.829 . . . . 0.0 110.123 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.281 0.562 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -61.19 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.808 . . . . 0.0 110.422 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.1 t -48.72 -19.8 0.4 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.953 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 675' ' ' ILE . 7.7 m120 -81.22 -35.29 31.47 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.814 0.816 . . . . 0.0 109.006 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.499 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.652 -0.655 . . . . 0.0 110.05 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.499 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.6 mt -78.46 -18.4 54.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.594 -0.691 . . . . 0.0 110.453 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.2 -21.37 64.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.135 -0.978 . . . . 0.0 109.889 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -74.65 -21.32 59.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.412 -0.805 . . . . 0.0 109.15 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.8 pt -119.62 -12.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.388 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.257 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.529 0.68 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -49.97 24.45 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.229 1.014 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.87 90.42 0.06 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.653 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.701 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.89 -10.33 56.48 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.664 -0.647 . . . . 0.0 111.255 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 1.9 m-20 -61.69 -21.27 64.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.303 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 6.1 m -94.06 -16.63 23.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.668 -0.645 . . . . 0.0 110.03 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.701 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 27.8 m95 -70.3 -35.51 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 7.8 ptpt -49.21 -39.92 31.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.38 -0.825 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.1 m-20 -65.6 -26.7 67.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.394 -0.816 . . . . 0.0 108.84 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.19 -35.12 28.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.056 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.89 -32.42 71.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 108.782 178.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -67.76 -29.77 69.06 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.817 0.818 . . . . 0.0 109.561 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.521 0.677 . . . . 0.0 110.8 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.152 0.501 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.477 HG21 ' CD1' ' A' ' 678' ' ' TRP . 10.6 mm -58.05 -47.41 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.6 t -49.0 -19.91 0.46 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.859 0.837 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.7 t-20 -80.92 -37.75 29.07 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.763 0.792 . . . . 0.0 109.142 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.477 ' CD1' HG21 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -76.39 -27.39 56.32 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.33 0.586 . . . . 0.0 110.017 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.47 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 10.6 mt -74.83 -17.95 60.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -24.47 66.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -0.852 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -73.8 -22.25 59.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.514 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.2 pt -119.14 -8.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.083 -1.011 . . . . 0.0 111.469 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.11 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.49 0.662 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -51.14 15.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.189 0.995 . . . . 0.0 110.343 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.83 90.43 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.674 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.704 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.45 -10.18 56.88 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.566 -0.709 . . . . 0.0 111.333 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.59 -24.34 65.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.963 -1.086 . . . . 0.0 108.288 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.8 t -92.19 -14.74 28.58 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.299 0.571 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.704 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 26.9 m95 -72.75 -30.01 63.79 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.34 -0.85 . . . . 0.0 109.983 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -51.27 -41.6 60.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -65.15 -30.65 71.59 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.507 ' HB3' ' O ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -77.43 -38.24 50.03 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.13 -32.54 71.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 108.413 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -30.11 69.46 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.727 0.775 . . . . 0.0 109.41 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.826 0.822 . . . . 0.0 110.399 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -58.79 -46.62 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 61.0 p -49.15 -19.91 0.51 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.805 0.812 . . . . 0.0 109.661 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -81.37 -35.63 30.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.82 0.819 . . . . 0.0 109.085 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.484 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -82.2 -28.44 31.99 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.656 -0.652 . . . . 0.0 110.199 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.484 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.6 mt -77.82 -17.94 56.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.543 -0.723 . . . . 0.0 110.429 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.453 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.77 -21.64 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.907 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -75.46 -21.28 58.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.241 -0.912 . . . . 0.0 109.225 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 679' ' ' LEU . 2.1 pt -119.62 -13.43 9.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.16 -0.963 . . . . 0.0 111.401 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.2 mttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.26 -179.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.55 0.691 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.05 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.165 0.983 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.91 90.43 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.721 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.713 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.06 -10.21 56.46 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.676 -0.64 . . . . 0.0 111.308 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -23.95 65.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.407 177.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 64.2 m -92.88 -16.09 25.64 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.742 -0.598 . . . . 0.0 110.206 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.713 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.8 m95 -68.8 -32.59 72.42 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.86 . . . . 0.0 109.458 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -50.55 -41.78 54.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.491 -0.756 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -64.3 -27.35 68.97 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.32 -34.68 28.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.493 -0.883 . . . . 0.0 109.151 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.09 -32.63 72.29 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -66.78 -30.95 71.28 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.889 0.852 . . . . 0.0 109.498 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.635 0.731 . . . . 0.0 110.528 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.258 0.551 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.484 HG22 ' CD1' ' A' ' 678' ' ' TRP . 10.9 mm -58.76 -46.21 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 59.5 p -48.91 -19.86 0.44 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.83 0.824 . . . . 0.0 109.62 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.5 t30 -81.16 -37.69 28.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.752 0.787 . . . . 0.0 109.307 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.484 ' CD1' HG22 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -79.09 -28.11 43.0 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.36 0.6 . . . . 0.0 110.167 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.431 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.7 mt -75.23 -18.05 60.2 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.066 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -21.66 66.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.252 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.498 -0.751 . . . . 0.0 109.491 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.5 pt -119.43 -12.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.205 -0.934 . . . . 0.0 111.582 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.125 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.489 0.661 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -49.77 31.0 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.285 1.04 . . . . 0.0 110.298 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.37 90.44 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.682 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.698 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.76 -10.36 56.13 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.312 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.4 p30 -62.08 -20.87 64.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.029 -1.045 . . . . 0.0 108.298 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 97.0 p -93.95 -16.66 23.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.698 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.0 m95 -70.86 -35.29 72.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.335 -0.853 . . . . 0.0 109.852 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.5 ptmt -49.31 -39.74 32.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.4 -0.813 . . . . 0.0 110.525 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.4 -27.08 68.29 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 666' ' ' TRP . 6.6 tt -81.98 -35.04 29.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.119 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.08 -32.35 72.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.022 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 22.3 t -68.23 -29.62 68.48 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.189 0.519 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.458 HD13 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -56.72 -47.13 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.393 -0.817 . . . . 0.0 110.396 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 65.4 p -49.05 -19.94 0.48 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.803 0.811 . . . . 0.0 109.723 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.8 t30 -81.68 -35.12 30.24 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.709 0.766 . . . . 0.0 109.227 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.464 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -81.07 -28.03 35.46 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.431 0.634 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.464 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.7 mt -77.86 -17.66 57.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.0 110.497 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.33 -21.91 63.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.85 -21.19 59.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.31 -0.869 . . . . 0.0 109.171 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.94 9.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.214 -0.929 . . . . 0.0 111.416 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.152 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.504 0.669 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -50.22 22.41 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.224 1.012 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.2 90.4 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.655 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.699 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.35 -10.27 57.17 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.262 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.7 p30 -61.24 -21.75 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 108.386 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 -16.62 23.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.678 -0.639 . . . . 0.0 109.986 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.699 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 28.8 m95 -70.75 -34.94 72.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.341 -0.849 . . . . 0.0 110.114 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 8.0 ptpt -49.61 -40.64 39.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.31 -0.869 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.8 m-80 -65.45 -27.27 68.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 7.0 tt -82.34 -34.79 28.36 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.141 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.77 -32.5 71.81 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -66.21 -30.71 71.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.084 0.945 . . . . 0.0 109.619 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.843 0.83 . . . . 0.0 110.335 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.77 -45.99 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.511 -0.743 . . . . 0.0 110.404 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.3 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.771 0.796 . . . . 0.0 109.676 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 675' ' ' ILE . 9.1 t30 -81.28 -35.04 31.6 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.763 0.792 . . . . 0.0 109.169 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.491 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -82.49 -27.81 31.57 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.632 -0.668 . . . . 0.0 110.142 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.491 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.6 mt -77.78 -18.46 56.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.541 -0.724 . . . . 0.0 110.535 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.456 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.24 -20.93 64.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.145 -0.972 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -75.04 -21.9 58.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.155 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.7 pt -119.57 -13.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.159 -0.963 . . . . 0.0 111.473 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 46.0 mttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.223 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.49 0.662 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -47.96 63.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.307 1.051 . . . . 0.0 110.14 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.13 90.52 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.828 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.25 -10.34 53.88 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.635 -0.666 . . . . 0.0 111.323 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 27.5 m-20 -61.8 -21.08 64.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.058 -1.027 . . . . 0.0 108.294 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 3.3 t -93.91 -16.91 23.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.596 -0.69 . . . . 0.0 109.851 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.703 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.4 m95 -70.58 -35.37 73.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.276 -0.89 . . . . 0.0 109.87 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.1 ptmt -49.7 -39.73 37.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.421 -0.8 . . . . 0.0 110.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 1.1 t-20 -65.61 -26.82 68.01 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.1 -34.96 29.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.075 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.99 -32.31 71.9 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.6 t -67.67 -29.91 69.31 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.872 0.844 . . . . 0.0 109.618 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.575 0.702 . . . . 0.0 110.767 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.194 0.521 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -57.27 -46.9 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 58.7 p -48.86 -19.95 0.44 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.61 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 19.4 t-20 -81.4 -37.5 28.06 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.333 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.475 ' CD1' HG22 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -77.92 -28.01 49.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.445 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 8.6 mt -75.11 -17.99 60.34 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -21.97 66.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.18 -21.89 59.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.523 -0.736 . . . . 0.0 109.721 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.3 pt -119.18 -9.78 11.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 120.95 -1.094 . . . . 0.0 111.732 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 679' ' ' LEU . 21.3 ttmt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.153 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.434 0.635 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -49.65 31.3 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.185 0.993 . . . . 0.0 110.18 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.24 90.53 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.732 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.718 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.6 -10.37 55.51 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.669 -0.645 . . . . 0.0 111.321 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.15 -23.94 65.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 108.456 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 29.6 m -92.91 -16.06 25.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.73 -0.606 . . . . 0.0 110.347 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.718 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.1 m95 -68.27 -32.72 73.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -50.24 -41.39 50.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.55 -0.719 . . . . 0.0 110.381 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -27.37 69.04 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.13 -34.83 29.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.0 -33.08 72.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 40.6 t -66.91 -30.78 71.02 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.974 0.893 . . . . 0.0 109.675 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.21 -46.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.336 -0.853 . . . . 0.0 110.261 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.7 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.803 0.811 . . . . 0.0 109.661 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.3 t-20 -81.46 -35.32 30.7 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.757 0.789 . . . . 0.0 109.146 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.508 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -81.3 -27.4 35.07 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.454 0.645 . . . . 0.0 110.242 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.508 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 8.1 mt -78.64 -17.64 55.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.452 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.54 -21.43 63.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 110.077 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -73.32 -19.67 60.97 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.424 -0.797 . . . . 0.0 109.321 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.5 pt -119.29 -10.14 11.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.981 -1.074 . . . . 0.0 111.495 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.3 tptt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.141 -179.708 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.484 0.659 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -48.47 59.97 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.31 1.052 . . . . 0.0 110.108 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.31 90.61 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.774 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.719 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.05 -10.41 53.6 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.641 -0.662 . . . . 0.0 111.329 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.16 -23.69 65.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.014 -1.054 . . . . 0.0 108.514 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.9 t -93.14 -16.07 25.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.672 -0.642 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.719 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.9 m95 -68.09 -33.14 73.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.364 -0.835 . . . . 0.0 109.365 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -50.3 -41.36 50.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.394 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.35 -27.16 68.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.08 -34.81 29.2 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.147 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.95 -33.06 72.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.791 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.3 t -66.61 -30.99 71.41 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.915 0.864 . . . . 0.0 109.549 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.609 0.719 . . . . 0.0 110.562 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.235 0.541 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -58.23 -46.77 88.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.342 -0.848 . . . . 0.0 110.363 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.9 t -48.98 -19.77 0.44 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.795 0.807 . . . . 0.0 109.715 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 675' ' ' ILE . 63.0 t30 -81.51 -35.35 30.51 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.659 0.742 . . . . 0.0 109.191 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' TRP . . . . . 0.475 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -81.14 -27.8 35.36 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' LEU . . . . . 0.475 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.5 mt -77.93 -17.73 56.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.573 -0.704 . . . . 0.0 110.474 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' TRP . . . . . 0.457 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.19 -22.27 63.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -74.67 -20.98 59.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.209 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.149 -0.969 . . . . 0.0 111.414 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.0 mttt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.135 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.209 0.528 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -132.62 66.95 1.54 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.321 -0.862 . . . . 0.0 110.158 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.99 172.21 11.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.88 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.1 mt -77.71 -26.24 49.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.362 -0.836 . . . . 0.0 110.252 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -49.0 43.3 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.225 1.012 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.22 90.41 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.781 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.694 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.89 -10.06 57.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.715 -0.616 . . . . 0.0 111.348 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.89 -23.53 66.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.067 . . . . 0.0 108.284 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.7 m -92.87 -15.47 26.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.708 -0.62 . . . . 0.0 110.088 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.694 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.5 m95 -70.47 -32.02 69.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 109.643 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -49.09 -41.61 36.19 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.458 -0.776 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.7 -30.59 71.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.545 ' CD1' ' C ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -81.89 -35.74 28.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.491 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 5.6 m95 -63.07 -31.23 72.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 0.0 108.92 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.1 t -69.36 -28.29 66.08 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -67.12 -31.85 72.59 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.833 0.825 . . . . 0.0 110.249 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.418 ' CD2' HD22 ' A' ' 669' ' ' LEU . 17.0 m-85 -86.2 87.5 7.44 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.63 0.729 . . . . 0.0 109.694 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 5.8 p -87.67 39.36 0.88 Allowed 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.833 -0.542 . . . . 0.0 110.572 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.482 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.2 mm -59.91 -46.74 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.2 t -48.99 -19.86 0.45 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.878 0.846 . . . . 0.0 109.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 675' ' ' ILE . 35.3 t30 -80.6 -38.79 28.71 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.815 0.817 . . . . 0.0 109.015 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.482 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -75.66 -27.75 58.45 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 121.456 0.646 . . . . 0.0 109.774 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.471 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 10.0 mt -74.13 -18.92 60.73 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.606 -0.684 . . . . 0.0 110.281 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.84 67.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.314 -0.866 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -75.79 -23.03 55.85 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.4 pt -119.08 -12.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.09 -1.006 . . . . 0.0 111.549 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 679' ' ' LEU . 4.8 ttpt . . . . . 0 C--N 1.299 -1.613 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.116 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -149.22 41.81 0.91 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.175 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.15 175.1 10.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.357 -0.84 . . . . 0.0 110.154 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.75 -25.85 53.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.419 -0.801 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -50.77 16.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.128 0.966 . . . . 0.0 110.356 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.06 90.48 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.715 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.711 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.8 -10.19 57.48 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.313 -179.62 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.07 -24.14 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.96 -1.087 . . . . 0.0 108.438 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 57.1 m -92.89 -15.85 25.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.728 -0.607 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.711 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 20.7 m95 -68.37 -32.08 71.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -50.73 -42.13 57.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.519 -0.738 . . . . 0.0 110.481 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.93 -27.82 69.4 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.6 tt -82.21 -34.19 29.04 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.106 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.584 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.13 -33.14 72.91 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -65.16 -31.63 72.92 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.047 0.927 . . . . 0.0 109.532 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -55.43 10.2 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.842 0.829 . . . . 0.0 110.123 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' A' ' 675' ' ' ILE . 7.4 m-85 -85.94 96.12 9.7 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.707 0.765 . . . . 0.0 109.196 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.9 m -76.13 38.66 0.18 Allowed 'General case' 0 C--N 1.289 -2.05 0 CA-C-O 121.281 0.562 . . . . 0.0 110.562 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -61.19 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.808 . . . . 0.0 110.422 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.1 t -48.72 -19.8 0.4 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.953 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 675' ' ' ILE . 7.7 m120 -81.22 -35.29 31.47 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.814 0.816 . . . . 0.0 109.006 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.499 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.652 -0.655 . . . . 0.0 110.05 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.499 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.6 mt -78.46 -18.4 54.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.594 -0.691 . . . . 0.0 110.453 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.2 -21.37 64.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.135 -0.978 . . . . 0.0 109.889 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -74.65 -21.32 59.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.412 -0.805 . . . . 0.0 109.15 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.8 pt -119.62 -12.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.388 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.257 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.217 0.532 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 11.7 tptm 52.36 42.66 31.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.317 -0.864 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.9 166.73 18.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -82.97 -25.86 31.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.311 -0.868 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -49.97 24.45 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.229 1.014 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.87 90.42 0.06 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.653 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.701 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.89 -10.33 56.48 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.664 -0.647 . . . . 0.0 111.255 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 1.9 m-20 -61.69 -21.27 64.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.303 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 6.1 m -94.06 -16.63 23.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.668 -0.645 . . . . 0.0 110.03 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.701 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 27.8 m95 -70.3 -35.51 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 7.8 ptpt -49.21 -39.92 31.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.38 -0.825 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.1 m-20 -65.6 -26.7 67.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.394 -0.816 . . . . 0.0 108.84 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.19 -35.12 28.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.056 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.89 -32.42 71.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 108.782 178.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -67.76 -29.77 69.06 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.817 0.818 . . . . 0.0 109.561 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -30.96 70.27 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.521 0.677 . . . . 0.0 110.8 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -78.66 58.18 2.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.645 -0.659 . . . . 0.0 110.408 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.7 m -90.51 40.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.486 -0.759 . . . . 0.0 110.308 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.477 HG21 ' CD1' ' A' ' 678' ' ' TRP . 10.6 mm -58.05 -47.41 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.6 t -49.0 -19.91 0.46 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.859 0.837 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.7 t-20 -80.92 -37.75 29.07 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.763 0.792 . . . . 0.0 109.142 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.477 ' CD1' HG21 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -76.39 -27.39 56.32 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.33 0.586 . . . . 0.0 110.017 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.47 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 10.6 mt -74.83 -17.95 60.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -24.47 66.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -0.852 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -73.8 -22.25 59.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.514 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.2 pt -119.14 -8.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.083 -1.011 . . . . 0.0 111.469 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.11 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 658' ' ' LYS . 17.7 mm-40 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.964 0.412 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 657' ' ' GLU . 1.0 OUTLIER 36.17 36.31 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.205 0.526 . . . . 0.0 111.54 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.11 176.39 8.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 110.22 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.65 -25.63 64.92 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.371 -0.831 . . . . 0.0 110.243 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -51.14 15.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.189 0.995 . . . . 0.0 110.343 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.83 90.43 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.674 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.704 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.45 -10.18 56.88 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.566 -0.709 . . . . 0.0 111.333 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.59 -24.34 65.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.963 -1.086 . . . . 0.0 108.288 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.8 t -92.19 -14.74 28.58 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.299 0.571 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.704 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 26.9 m95 -72.75 -30.01 63.79 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.34 -0.85 . . . . 0.0 109.983 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -51.27 -41.6 60.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -65.15 -30.65 71.59 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.507 ' HB3' ' O ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -77.43 -38.24 50.03 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.13 -32.54 71.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 108.413 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -30.11 69.46 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.727 0.775 . . . . 0.0 109.41 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -47.04 64.54 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.826 0.822 . . . . 0.0 110.399 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -85.72 86.44 7.36 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.665 0.745 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 10.4 p -87.24 39.59 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.326 0.584 . . . . 0.0 110.156 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -58.79 -46.62 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 61.0 p -49.15 -19.91 0.51 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.805 0.812 . . . . 0.0 109.661 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -81.37 -35.63 30.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.82 0.819 . . . . 0.0 109.085 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.484 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -82.2 -28.44 31.99 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.656 -0.652 . . . . 0.0 110.199 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.484 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.6 mt -77.82 -17.94 56.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.543 -0.723 . . . . 0.0 110.429 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.453 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.77 -21.64 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.907 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -75.46 -21.28 58.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.241 -0.912 . . . . 0.0 109.225 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 679' ' ' LEU . 2.1 pt -119.62 -13.43 9.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.16 -0.963 . . . . 0.0 111.401 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.2 mttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.26 -179.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.213 0.53 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -131.99 41.82 3.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 110.225 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.1 176.98 9.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.2 mt -71.09 -25.97 62.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.392 -0.818 . . . . 0.0 110.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.05 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.165 0.983 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.91 90.43 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.721 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.713 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.06 -10.21 56.46 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.676 -0.64 . . . . 0.0 111.308 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -23.95 65.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.407 177.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 64.2 m -92.88 -16.09 25.64 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.742 -0.598 . . . . 0.0 110.206 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.713 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.8 m95 -68.8 -32.59 72.42 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.86 . . . . 0.0 109.458 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -50.55 -41.78 54.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.491 -0.756 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -64.3 -27.35 68.97 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.32 -34.68 28.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.493 -0.883 . . . . 0.0 109.151 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.09 -32.63 72.29 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -66.78 -30.95 71.28 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.889 0.852 . . . . 0.0 109.498 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -47.51 67.13 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.635 0.731 . . . . 0.0 110.528 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -85.76 91.08 8.21 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.777 0.798 . . . . 0.0 109.763 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 62.4 m -83.44 39.36 0.66 Allowed 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 121.258 0.551 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.484 HG22 ' CD1' ' A' ' 678' ' ' TRP . 10.9 mm -58.76 -46.21 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 59.5 p -48.91 -19.86 0.44 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.83 0.824 . . . . 0.0 109.62 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.5 t30 -81.16 -37.69 28.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.752 0.787 . . . . 0.0 109.307 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.484 ' CD1' HG22 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -79.09 -28.11 43.0 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.36 0.6 . . . . 0.0 110.167 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.431 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.7 mt -75.23 -18.05 60.2 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.066 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -21.66 66.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.252 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.498 -0.751 . . . . 0.0 109.491 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.5 pt -119.43 -12.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.205 -0.934 . . . . 0.0 111.582 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.125 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.205 0.526 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.11 -173.24 2.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 0.0 110.237 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.94 167.28 16.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.845 . . . . 0.0 110.217 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 93.6 mt -84.55 -25.78 28.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.395 -0.816 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -49.77 31.0 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.285 1.04 . . . . 0.0 110.298 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.37 90.44 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.682 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.698 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.76 -10.36 56.13 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.312 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.4 p30 -62.08 -20.87 64.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.029 -1.045 . . . . 0.0 108.298 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 97.0 p -93.95 -16.66 23.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.698 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.0 m95 -70.86 -35.29 72.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.335 -0.853 . . . . 0.0 109.852 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.5 ptmt -49.31 -39.74 32.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.4 -0.813 . . . . 0.0 110.525 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.4 -27.08 68.29 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 666' ' ' TRP . 6.6 tt -81.98 -35.04 29.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.119 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.08 -32.35 72.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.022 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 22.3 t -68.23 -29.62 68.48 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -29.64 69.47 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.59 51.73 2.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.588 -0.695 . . . . 0.0 110.404 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.53 40.54 1.02 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.228 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.458 HD13 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -56.72 -47.13 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.393 -0.817 . . . . 0.0 110.396 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 65.4 p -49.05 -19.94 0.48 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.803 0.811 . . . . 0.0 109.723 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.8 t30 -81.68 -35.12 30.24 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.709 0.766 . . . . 0.0 109.227 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.464 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -81.07 -28.03 35.46 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.431 0.634 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.464 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.7 mt -77.86 -17.66 57.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.0 110.497 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.33 -21.91 63.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.85 -21.19 59.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.31 -0.869 . . . . 0.0 109.171 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.94 9.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.214 -0.929 . . . . 0.0 111.416 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.152 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.264 0.554 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 110.96 1.74 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.346 -0.846 . . . . 0.0 110.164 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.06 177.36 7.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 89.9 mt -84.03 -25.67 29.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -50.22 22.41 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.224 1.012 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.2 90.4 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.655 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.699 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.35 -10.27 57.17 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.262 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.7 p30 -61.24 -21.75 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 108.386 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 -16.62 23.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.678 -0.639 . . . . 0.0 109.986 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.699 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 28.8 m95 -70.75 -34.94 72.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.341 -0.849 . . . . 0.0 110.114 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 8.0 ptpt -49.61 -40.64 39.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.31 -0.869 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.8 m-80 -65.45 -27.27 68.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 7.0 tt -82.34 -34.79 28.36 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.141 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.77 -32.5 71.81 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -66.21 -30.71 71.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.084 0.945 . . . . 0.0 109.619 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -53.33 17.31 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.843 0.83 . . . . 0.0 110.335 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -86.03 95.91 9.67 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.78 0.8 . . . . 0.0 109.772 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 9.4 t -78.58 39.47 0.34 Allowed 'General case' 0 C--N 1.288 -2.072 0 CA-C-O 121.286 0.565 . . . . 0.0 110.237 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.77 -45.99 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.511 -0.743 . . . . 0.0 110.404 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.3 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.771 0.796 . . . . 0.0 109.676 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 675' ' ' ILE . 9.1 t30 -81.28 -35.04 31.6 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.763 0.792 . . . . 0.0 109.169 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.491 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -82.49 -27.81 31.57 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.632 -0.668 . . . . 0.0 110.142 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.491 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.6 mt -77.78 -18.46 56.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.541 -0.724 . . . . 0.0 110.535 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.456 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.24 -20.93 64.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.145 -0.972 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -75.04 -21.9 58.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.155 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.7 pt -119.57 -13.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.159 -0.963 . . . . 0.0 111.473 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 46.0 mttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.223 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.184 0.516 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -125.25 179.23 5.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 110.199 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -85.05 174.73 9.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.41 -0.806 . . . . 0.0 110.196 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.7 -25.74 59.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.405 -0.809 . . . . 0.0 110.254 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -47.96 63.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.307 1.051 . . . . 0.0 110.14 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.13 90.52 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.828 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.25 -10.34 53.88 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.635 -0.666 . . . . 0.0 111.323 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 27.5 m-20 -61.8 -21.08 64.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.058 -1.027 . . . . 0.0 108.294 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 3.3 t -93.91 -16.91 23.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.596 -0.69 . . . . 0.0 109.851 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.703 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.4 m95 -70.58 -35.37 73.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.276 -0.89 . . . . 0.0 109.87 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.1 ptmt -49.7 -39.73 37.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.421 -0.8 . . . . 0.0 110.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 1.1 t-20 -65.61 -26.82 68.01 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.1 -34.96 29.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.075 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.99 -32.31 71.9 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.6 t -67.67 -29.91 69.31 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.872 0.844 . . . . 0.0 109.618 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -33.16 74.28 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.575 0.702 . . . . 0.0 110.767 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -76.39 62.22 1.8 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.541 0.686 . . . . 0.0 110.151 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.34 40.21 1.0 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -57.27 -46.9 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 58.7 p -48.86 -19.95 0.44 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.61 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 19.4 t-20 -81.4 -37.5 28.06 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.333 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.475 ' CD1' HG22 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -77.92 -28.01 49.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.445 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 8.6 mt -75.11 -17.99 60.34 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -21.97 66.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.18 -21.89 59.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.523 -0.736 . . . . 0.0 109.721 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.3 pt -119.18 -9.78 11.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 120.95 -1.094 . . . . 0.0 111.732 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 679' ' ' LEU . 21.3 ttmt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.153 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.181 0.515 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 28.7 tttt 52.72 56.75 7.18 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.341 -0.849 . . . . 0.0 110.482 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.93 157.49 21.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.866 . . . . 0.0 110.208 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.11 -26.12 36.42 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -49.65 31.3 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.185 0.993 . . . . 0.0 110.18 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.24 90.53 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.732 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.718 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.6 -10.37 55.51 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.669 -0.645 . . . . 0.0 111.321 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.15 -23.94 65.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 108.456 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 29.6 m -92.91 -16.06 25.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.73 -0.606 . . . . 0.0 110.347 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.718 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.1 m95 -68.27 -32.72 73.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -50.24 -41.39 50.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.55 -0.719 . . . . 0.0 110.381 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -27.37 69.04 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.13 -34.83 29.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.0 -33.08 72.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 40.6 t -66.91 -30.78 71.02 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.974 0.893 . . . . 0.0 109.675 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -30.14 70.24 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.4 60.51 3.84 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.579 0.704 . . . . 0.0 110.164 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.0 t -90.22 39.86 0.98 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.693 . . . . 0.0 110.416 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.21 -46.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.336 -0.853 . . . . 0.0 110.261 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.7 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.803 0.811 . . . . 0.0 109.661 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.3 t-20 -81.46 -35.32 30.7 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.757 0.789 . . . . 0.0 109.146 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.508 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -81.3 -27.4 35.07 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.454 0.645 . . . . 0.0 110.242 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.508 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 8.1 mt -78.64 -17.64 55.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.452 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.54 -21.43 63.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 110.077 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -73.32 -19.67 60.97 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.424 -0.797 . . . . 0.0 109.321 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.5 pt -119.29 -10.14 11.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.981 -1.074 . . . . 0.0 111.495 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.3 tptt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.141 -179.708 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.87 149.79 43.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.339 -0.851 . . . . 0.0 110.167 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -173.0 4.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.837 . . . . 0.0 110.257 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.9 mt -83.53 -25.67 30.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -48.47 59.97 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.31 1.052 . . . . 0.0 110.108 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.31 90.61 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.774 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.719 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.05 -10.41 53.6 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.641 -0.662 . . . . 0.0 111.329 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.16 -23.69 65.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.014 -1.054 . . . . 0.0 108.514 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.9 t -93.14 -16.07 25.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.672 -0.642 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.719 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.9 m95 -68.09 -33.14 73.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.364 -0.835 . . . . 0.0 109.365 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -50.3 -41.36 50.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.394 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.35 -27.16 68.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.08 -34.81 29.2 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.147 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.95 -33.06 72.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.791 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.3 t -66.61 -30.99 71.41 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.915 0.864 . . . . 0.0 109.549 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -30.8 70.17 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.609 0.719 . . . . 0.0 110.562 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -85.74 85.19 7.41 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.699 0.761 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 79.0 p -89.1 39.78 0.95 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.645 -0.659 . . . . 0.0 110.398 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -58.23 -46.77 88.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.342 -0.848 . . . . 0.0 110.363 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.9 t -48.98 -19.77 0.44 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.795 0.807 . . . . 0.0 109.715 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 675' ' ' ILE . 63.0 t30 -81.51 -35.35 30.51 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.659 0.742 . . . . 0.0 109.191 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.475 ' NE1' ' HG ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -81.14 -27.8 35.36 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.475 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 7.5 mt -77.93 -17.73 56.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.573 -0.704 . . . . 0.0 110.474 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.457 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.19 -22.27 63.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -74.67 -20.98 59.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.209 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.149 -0.969 . . . . 0.0 111.414 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.0 mttt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.135 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.476 0.655 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -49.0 43.3 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.225 1.012 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.22 90.41 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.781 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.89 -10.06 57.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.715 -0.616 . . . . 0.0 111.348 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.89 -23.53 66.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.067 . . . . 0.0 108.284 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.7 m -92.87 -15.47 26.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.708 -0.62 . . . . 0.0 110.088 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.703 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.5 m95 -70.47 -32.02 69.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 109.643 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -49.09 -41.61 36.19 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.458 -0.776 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.7 -30.59 71.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.823 HD13 ' C ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -81.89 -35.74 28.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.813 ' N ' HD13 ' A' ' 669' ' ' LEU . 5.6 m95 -63.07 -31.23 72.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 0.0 108.92 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.1 t -69.36 -28.29 66.08 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 121.833 0.825 . . . . 0.0 110.249 -179.026 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.649 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.2 mm -59.91 -46.74 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.2 t -48.99 -19.86 0.45 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.878 0.846 . . . . 0.0 109.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 675' ' ' ILE . 35.3 t30 -80.6 -38.79 28.71 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.815 0.817 . . . . 0.0 109.015 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.649 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -75.66 -27.75 58.45 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 121.456 0.646 . . . . 0.0 109.774 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 1.113 HD23 HD11 ' A' ' 682' ' ' ILE . 10.0 mt -74.13 -18.92 60.73 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.606 -0.684 . . . . 0.0 110.281 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.84 67.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.314 -0.866 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -75.79 -23.03 55.85 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 1.113 HD11 HD23 ' A' ' 679' ' ' LEU . 1.4 pt -119.08 -12.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.09 -1.006 . . . . 0.0 111.549 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 683' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 679' ' ' LEU . 4.8 ttpt . . . . . 0 C--N 1.299 -1.613 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.116 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.502 0.667 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -50.77 16.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.128 0.966 . . . . 0.0 110.356 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.06 90.48 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.715 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.721 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.8 -10.19 57.48 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.313 -179.62 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.07 -24.14 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.96 -1.087 . . . . 0.0 108.438 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 57.1 m -92.89 -15.85 25.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.728 -0.607 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.721 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 20.7 m95 -68.37 -32.08 71.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -50.73 -42.13 57.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.519 -0.738 . . . . 0.0 110.481 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.93 -27.82 69.4 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.6 tt -82.21 -34.19 29.04 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.106 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.13 -33.14 72.91 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -65.16 -31.63 72.92 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.047 0.927 . . . . 0.0 109.532 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.842 0.829 . . . . 0.0 110.123 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.281 0.562 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.716 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -61.19 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.808 . . . . 0.0 110.422 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.1 t -48.72 -19.8 0.4 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.953 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 675' ' ' ILE . 7.7 m120 -81.22 -35.29 31.47 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.814 0.816 . . . . 0.0 109.006 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.716 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.652 -0.655 . . . . 0.0 110.05 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.86 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -78.46 -18.4 54.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.594 -0.691 . . . . 0.0 110.453 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.2 -21.37 64.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.135 -0.978 . . . . 0.0 109.889 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -74.65 -21.32 59.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.412 -0.805 . . . . 0.0 109.15 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.86 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.62 -12.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.388 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.257 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.529 0.68 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -49.97 24.45 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.229 1.014 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.87 90.42 0.06 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.653 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.717 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.89 -10.33 56.48 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.664 -0.647 . . . . 0.0 111.255 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 1.9 m-20 -61.69 -21.27 64.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.303 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 6.1 m -94.06 -16.63 23.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.668 -0.645 . . . . 0.0 110.03 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.717 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 27.8 m95 -70.3 -35.51 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 7.8 ptpt -49.21 -39.92 31.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.38 -0.825 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 668' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.1 m-20 -65.6 -26.7 67.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.394 -0.816 . . . . 0.0 108.84 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.19 -35.12 28.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.056 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.89 -32.42 71.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 108.782 178.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -67.76 -29.77 69.06 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.817 0.818 . . . . 0.0 109.561 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.521 0.677 . . . . 0.0 110.8 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.152 0.501 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.63 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.6 mm -58.05 -47.41 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.6 t -49.0 -19.91 0.46 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.859 0.837 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.7 t-20 -80.92 -37.75 29.07 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.763 0.792 . . . . 0.0 109.142 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.63 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -76.39 -27.39 56.32 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.33 0.586 . . . . 0.0 110.017 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 1.118 HD23 HD11 ' A' ' 682' ' ' ILE . 10.6 mt -74.83 -17.95 60.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -24.47 66.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -0.852 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -73.8 -22.25 59.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.514 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 1.118 HD11 HD23 ' A' ' 679' ' ' LEU . 1.2 pt -119.14 -8.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.083 -1.011 . . . . 0.0 111.469 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.11 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.49 0.662 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -51.14 15.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.189 0.995 . . . . 0.0 110.343 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.83 90.43 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.674 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.714 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.45 -10.18 56.88 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.566 -0.709 . . . . 0.0 111.333 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.59 -24.34 65.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.963 -1.086 . . . . 0.0 108.288 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.8 t -92.19 -14.74 28.58 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.299 0.571 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.714 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 26.9 m95 -72.75 -30.01 63.79 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.34 -0.85 . . . . 0.0 109.983 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -51.27 -41.6 60.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -65.15 -30.65 71.59 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 669' ' ' LEU . 0.5 OUTLIER -77.43 -38.24 50.03 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.755 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.54 ' HA ' ' CE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.13 -32.54 71.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 108.413 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -30.11 69.46 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.727 0.775 . . . . 0.0 109.41 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.826 0.822 . . . . 0.0 110.399 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.632 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -58.79 -46.62 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 61.0 p -49.15 -19.91 0.51 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.805 0.812 . . . . 0.0 109.661 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -81.37 -35.63 30.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.82 0.819 . . . . 0.0 109.085 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.632 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.2 -28.44 31.99 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.656 -0.652 . . . . 0.0 110.199 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.883 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -77.82 -17.94 56.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.543 -0.723 . . . . 0.0 110.429 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.453 ' O ' ' CE3' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.77 -21.64 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.907 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -75.46 -21.28 58.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.241 -0.912 . . . . 0.0 109.225 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 679' ' ' LEU . 2.1 pt -119.62 -13.43 9.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.16 -0.963 . . . . 0.0 111.401 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.2 mttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.26 -179.863 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.55 0.691 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.05 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.165 0.983 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.91 90.43 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.721 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.726 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.06 -10.21 56.46 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.676 -0.64 . . . . 0.0 111.308 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -23.95 65.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.407 177.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 64.2 m -92.88 -16.09 25.64 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.742 -0.598 . . . . 0.0 110.206 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.726 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.8 m95 -68.8 -32.59 72.42 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.86 . . . . 0.0 109.458 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -50.55 -41.78 54.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.491 -0.756 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -64.3 -27.35 68.97 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.32 -34.68 28.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.493 -0.883 . . . . 0.0 109.151 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.09 -32.63 72.29 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -66.78 -30.95 71.28 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.889 0.852 . . . . 0.0 109.498 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.635 0.731 . . . . 0.0 110.528 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.258 0.551 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.637 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.9 mm -58.76 -46.21 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 59.5 p -48.91 -19.86 0.44 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.83 0.824 . . . . 0.0 109.62 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.5 t30 -81.16 -37.69 28.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.752 0.787 . . . . 0.0 109.307 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.637 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -79.09 -28.11 43.0 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.36 0.6 . . . . 0.0 110.167 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.882 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.7 mt -75.23 -18.05 60.2 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.066 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -21.66 66.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.252 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.498 -0.751 . . . . 0.0 109.491 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.882 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.5 pt -119.43 -12.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.205 -0.934 . . . . 0.0 111.582 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.125 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.489 0.661 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -49.77 31.0 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.285 1.04 . . . . 0.0 110.298 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.37 90.44 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.682 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.712 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.76 -10.36 56.13 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.312 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.4 p30 -62.08 -20.87 64.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.029 -1.045 . . . . 0.0 108.298 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 97.0 p -93.95 -16.66 23.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.712 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.0 m95 -70.86 -35.29 72.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.335 -0.853 . . . . 0.0 109.852 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.5 ptmt -49.31 -39.74 32.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.4 -0.813 . . . . 0.0 110.525 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 668' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.4 -27.08 68.29 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 666' ' ' TRP . 6.6 tt -81.98 -35.04 29.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.119 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.531 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.08 -32.35 72.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.022 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 22.3 t -68.23 -29.62 68.48 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.189 0.519 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.623 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -56.72 -47.13 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.393 -0.817 . . . . 0.0 110.396 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 65.4 p -49.05 -19.94 0.48 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.803 0.811 . . . . 0.0 109.723 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.8 t30 -81.68 -35.12 30.24 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.709 0.766 . . . . 0.0 109.227 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.623 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.07 -28.03 35.46 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.431 0.634 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.7 mt -77.86 -17.66 57.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.0 110.497 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.33 -21.91 63.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.85 -21.19 59.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.31 -0.869 . . . . 0.0 109.171 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.94 9.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.214 -0.929 . . . . 0.0 111.416 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.152 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.504 0.669 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -50.22 22.41 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.224 1.012 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 662' ' ' ALA . . . . . 0.413 ' HB1' ' OD2' ' A' ' 664' ' ' ASP . . . -63.2 90.4 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.655 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.713 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.35 -10.27 57.17 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.262 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.7 p30 -61.24 -21.75 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 108.386 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 -16.62 23.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.678 -0.639 . . . . 0.0 109.986 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.713 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 28.8 m95 -70.75 -34.94 72.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.341 -0.849 . . . . 0.0 110.114 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 8.0 ptpt -49.61 -40.64 39.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.31 -0.869 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 668' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.8 m-80 -65.45 -27.27 68.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 7.0 tt -82.34 -34.79 28.36 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.141 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.77 -32.5 71.81 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -66.21 -30.71 71.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.084 0.945 . . . . 0.0 109.619 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.843 0.83 . . . . 0.0 110.335 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.674 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.77 -45.99 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.511 -0.743 . . . . 0.0 110.404 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.3 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.771 0.796 . . . . 0.0 109.676 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 675' ' ' ILE . 9.1 t30 -81.28 -35.04 31.6 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.763 0.792 . . . . 0.0 109.169 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.674 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.49 -27.81 31.57 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.632 -0.668 . . . . 0.0 110.142 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.861 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -77.78 -18.46 56.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.541 -0.724 . . . . 0.0 110.535 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.456 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.24 -20.93 64.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.145 -0.972 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.434 ' HD2' HG23 ' A' ' 682' ' ' ILE . 84.0 t80 -75.04 -21.9 58.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.155 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.861 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.7 pt -119.57 -13.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.159 -0.963 . . . . 0.0 111.473 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 46.0 mttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.223 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.49 0.662 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -47.96 63.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.307 1.051 . . . . 0.0 110.14 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.13 90.52 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.828 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.717 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.25 -10.34 53.88 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.635 -0.666 . . . . 0.0 111.323 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 27.5 m-20 -61.8 -21.08 64.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.058 -1.027 . . . . 0.0 108.294 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 3.3 t -93.91 -16.91 23.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.596 -0.69 . . . . 0.0 109.851 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.717 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.4 m95 -70.58 -35.37 73.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.276 -0.89 . . . . 0.0 109.87 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.1 ptmt -49.7 -39.73 37.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.421 -0.8 . . . . 0.0 110.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 668' ' ' ASN . . . . . 0.426 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 1.1 t-20 -65.61 -26.82 68.01 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.1 -34.96 29.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.075 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.99 -32.31 71.9 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.6 t -67.67 -29.91 69.31 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.872 0.844 . . . . 0.0 109.618 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.575 0.702 . . . . 0.0 110.767 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.194 0.521 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.607 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -57.27 -46.9 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 58.7 p -48.86 -19.95 0.44 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.61 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 19.4 t-20 -81.4 -37.5 28.06 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.333 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.607 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -77.92 -28.01 49.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 682' ' ' ILE . 8.6 mt -75.11 -17.99 60.34 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -21.97 66.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.18 -21.89 59.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.523 -0.736 . . . . 0.0 109.721 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.3 pt -119.18 -9.78 11.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 120.95 -1.094 . . . . 0.0 111.732 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 683' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 679' ' ' LEU . 21.3 ttmt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.153 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.434 0.635 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -49.65 31.3 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.185 0.993 . . . . 0.0 110.18 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.24 90.53 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.732 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.728 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.6 -10.37 55.51 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.669 -0.645 . . . . 0.0 111.321 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.15 -23.94 65.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 108.456 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 29.6 m -92.91 -16.06 25.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.73 -0.606 . . . . 0.0 110.347 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.728 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.1 m95 -68.27 -32.72 73.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -50.24 -41.39 50.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.55 -0.719 . . . . 0.0 110.381 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -27.37 69.04 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.13 -34.83 29.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.0 -33.08 72.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 40.6 t -66.91 -30.78 71.02 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.974 0.893 . . . . 0.0 109.675 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.633 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.21 -46.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.336 -0.853 . . . . 0.0 110.261 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.7 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.803 0.811 . . . . 0.0 109.661 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.3 t-20 -81.46 -35.32 30.7 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.757 0.789 . . . . 0.0 109.146 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.633 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.3 -27.4 35.07 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.454 0.645 . . . . 0.0 110.242 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.846 ' CD2' HD11 ' A' ' 682' ' ' ILE . 8.1 mt -78.64 -17.64 55.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.452 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.54 -21.43 63.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 110.077 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.486 ' HD2' HG23 ' A' ' 682' ' ' ILE . 64.5 t80 -73.32 -19.67 60.97 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.424 -0.797 . . . . 0.0 109.321 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.846 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.5 pt -119.29 -10.14 11.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.981 -1.074 . . . . 0.0 111.495 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 683' ' ' LYS . . . . . 0.533 ' HZ2' HD13 ' A' ' 679' ' ' LEU . 2.3 tptt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.141 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.484 0.659 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -48.47 59.97 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.31 1.052 . . . . 0.0 110.108 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.31 90.61 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.774 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.73 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.05 -10.41 53.6 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.641 -0.662 . . . . 0.0 111.329 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.16 -23.69 65.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.014 -1.054 . . . . 0.0 108.514 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.9 t -93.14 -16.07 25.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.672 -0.642 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.73 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.9 m95 -68.09 -33.14 73.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.364 -0.835 . . . . 0.0 109.365 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -50.3 -41.36 50.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.394 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.35 -27.16 68.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.08 -34.81 29.2 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.147 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.95 -33.06 72.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.791 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.3 t -66.61 -30.99 71.41 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.915 0.864 . . . . 0.0 109.549 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.609 0.719 . . . . 0.0 110.562 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.235 0.541 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.647 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -58.23 -46.77 88.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.342 -0.848 . . . . 0.0 110.363 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.9 t -48.98 -19.77 0.44 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.795 0.807 . . . . 0.0 109.715 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 675' ' ' ILE . 63.0 t30 -81.51 -35.35 30.51 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.659 0.742 . . . . 0.0 109.191 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 678' ' ' TRP . . . . . 0.647 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.14 -27.8 35.36 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 679' ' ' LEU . . . . . 0.856 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.5 mt -77.93 -17.73 56.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.573 -0.704 . . . . 0.0 110.474 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 680' ' ' TRP . . . . . 0.457 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.19 -22.27 63.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -74.67 -20.98 59.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.209 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 682' ' ' ILE . . . . . 0.856 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.149 -0.969 . . . . 0.0 111.414 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.0 mttt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.135 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.209 0.528 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -132.62 66.95 1.54 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.321 -0.862 . . . . 0.0 110.158 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.99 172.21 11.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.88 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.1 mt -77.71 -26.24 49.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.362 -0.836 . . . . 0.0 110.252 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -49.0 43.3 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.225 1.012 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.22 90.41 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.781 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.89 -10.06 57.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.715 -0.616 . . . . 0.0 111.348 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.89 -23.53 66.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.067 . . . . 0.0 108.284 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.7 m -92.87 -15.47 26.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.708 -0.62 . . . . 0.0 110.088 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.703 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.5 m95 -70.47 -32.02 69.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 109.643 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -49.09 -41.61 36.19 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.458 -0.776 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.7 -30.59 71.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.823 HD13 ' C ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -81.89 -35.74 28.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.813 ' N ' HD13 ' A' ' 669' ' ' LEU . 5.6 m95 -63.07 -31.23 72.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 0.0 108.92 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.1 t -69.36 -28.29 66.08 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -67.12 -31.85 72.59 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.833 0.825 . . . . 0.0 110.249 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.689 ' CE2' HD21 ' A' ' 669' ' ' LEU . 17.0 m-85 -86.2 87.5 7.44 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.63 0.729 . . . . 0.0 109.694 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 5.8 p -87.67 39.36 0.88 Allowed 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.833 -0.542 . . . . 0.0 110.572 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.649 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.2 mm -59.91 -46.74 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.2 t -48.99 -19.86 0.45 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.878 0.846 . . . . 0.0 109.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 675' ' ' ILE . 35.3 t30 -80.6 -38.79 28.71 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.815 0.817 . . . . 0.0 109.015 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.649 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -75.66 -27.75 58.45 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 121.456 0.646 . . . . 0.0 109.774 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 1.113 HD23 HD11 ' A' ' 682' ' ' ILE . 10.0 mt -74.13 -18.92 60.73 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.606 -0.684 . . . . 0.0 110.281 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.84 67.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.314 -0.866 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -75.79 -23.03 55.85 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 1.113 HD11 HD23 ' A' ' 679' ' ' LEU . 1.4 pt -119.08 -12.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.09 -1.006 . . . . 0.0 111.549 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 679' ' ' LEU . 4.8 ttpt . . . . . 0 C--N 1.299 -1.613 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.116 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -149.22 41.81 0.91 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.175 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.15 175.1 10.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.357 -0.84 . . . . 0.0 110.154 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.75 -25.85 53.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.419 -0.801 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -50.77 16.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.128 0.966 . . . . 0.0 110.356 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.06 90.48 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.715 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.721 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.8 -10.19 57.48 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.313 -179.62 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.07 -24.14 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.96 -1.087 . . . . 0.0 108.438 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 57.1 m -92.89 -15.85 25.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.728 -0.607 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.721 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 20.7 m95 -68.37 -32.08 71.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -50.73 -42.13 57.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.519 -0.738 . . . . 0.0 110.481 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.93 -27.82 69.4 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.6 tt -82.21 -34.19 29.04 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.106 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.13 -33.14 72.91 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -65.16 -31.63 72.92 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.047 0.927 . . . . 0.0 109.532 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -55.43 10.2 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.842 0.829 . . . . 0.0 110.123 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -85.94 96.12 9.7 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.707 0.765 . . . . 0.0 109.196 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.9 m -76.13 38.66 0.18 Allowed 'General case' 0 C--N 1.289 -2.05 0 CA-C-O 121.281 0.562 . . . . 0.0 110.562 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.716 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -61.19 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.808 . . . . 0.0 110.422 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.1 t -48.72 -19.8 0.4 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.953 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 675' ' ' ILE . 7.7 m120 -81.22 -35.29 31.47 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.814 0.816 . . . . 0.0 109.006 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.716 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.652 -0.655 . . . . 0.0 110.05 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.86 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -78.46 -18.4 54.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.594 -0.691 . . . . 0.0 110.453 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.2 -21.37 64.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.135 -0.978 . . . . 0.0 109.889 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -74.65 -21.32 59.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.412 -0.805 . . . . 0.0 109.15 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.86 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.62 -12.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.388 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.257 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.217 0.532 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 11.7 tptm 52.36 42.66 31.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.317 -0.864 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.9 166.73 18.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -82.97 -25.86 31.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.311 -0.868 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -49.97 24.45 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.229 1.014 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.87 90.42 0.06 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.653 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.717 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.89 -10.33 56.48 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.664 -0.647 . . . . 0.0 111.255 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 1.9 m-20 -61.69 -21.27 64.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.303 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 6.1 m -94.06 -16.63 23.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.668 -0.645 . . . . 0.0 110.03 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.717 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 27.8 m95 -70.3 -35.51 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 7.8 ptpt -49.21 -39.92 31.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.38 -0.825 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.1 m-20 -65.6 -26.7 67.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.394 -0.816 . . . . 0.0 108.84 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.19 -35.12 28.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.056 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.89 -32.42 71.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 108.782 178.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -67.76 -29.77 69.06 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.817 0.818 . . . . 0.0 109.561 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -30.96 70.27 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.521 0.677 . . . . 0.0 110.8 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -78.66 58.18 2.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.645 -0.659 . . . . 0.0 110.408 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.7 m -90.51 40.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.486 -0.759 . . . . 0.0 110.308 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.63 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.6 mm -58.05 -47.41 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.6 t -49.0 -19.91 0.46 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.859 0.837 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.7 t-20 -80.92 -37.75 29.07 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.763 0.792 . . . . 0.0 109.142 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.63 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -76.39 -27.39 56.32 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.33 0.586 . . . . 0.0 110.017 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 1.118 HD23 HD11 ' A' ' 682' ' ' ILE . 10.6 mt -74.83 -17.95 60.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -24.47 66.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -0.852 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -73.8 -22.25 59.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.514 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 1.118 HD11 HD23 ' A' ' 679' ' ' LEU . 1.2 pt -119.14 -8.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.083 -1.011 . . . . 0.0 111.469 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.11 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 658' ' ' LYS . 17.7 mm-40 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.964 0.412 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 657' ' ' GLU . 1.0 OUTLIER 36.17 36.31 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.205 0.526 . . . . 0.0 111.54 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.11 176.39 8.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 110.22 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.65 -25.63 64.92 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.371 -0.831 . . . . 0.0 110.243 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -51.14 15.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.189 0.995 . . . . 0.0 110.343 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.83 90.43 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.674 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.714 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.45 -10.18 56.88 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.566 -0.709 . . . . 0.0 111.333 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.59 -24.34 65.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.963 -1.086 . . . . 0.0 108.288 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.8 t -92.19 -14.74 28.58 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.299 0.571 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.714 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 26.9 m95 -72.75 -30.01 63.79 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.34 -0.85 . . . . 0.0 109.983 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -51.27 -41.6 60.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -65.15 -30.65 71.59 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 669' ' ' LEU . 0.5 OUTLIER -77.43 -38.24 50.03 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.54 ' HA ' ' CE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.13 -32.54 71.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 108.413 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -30.11 69.46 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.727 0.775 . . . . 0.0 109.41 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -47.04 64.54 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.826 0.822 . . . . 0.0 110.399 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -85.72 86.44 7.36 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.665 0.745 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 10.4 p -87.24 39.59 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.326 0.584 . . . . 0.0 110.156 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.632 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -58.79 -46.62 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 61.0 p -49.15 -19.91 0.51 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.805 0.812 . . . . 0.0 109.661 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -81.37 -35.63 30.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.82 0.819 . . . . 0.0 109.085 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.632 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.2 -28.44 31.99 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.656 -0.652 . . . . 0.0 110.199 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.883 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -77.82 -17.94 56.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.543 -0.723 . . . . 0.0 110.429 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.453 ' O ' ' CE3' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.77 -21.64 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.907 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -75.46 -21.28 58.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.241 -0.912 . . . . 0.0 109.225 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 679' ' ' LEU . 2.1 pt -119.62 -13.43 9.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.16 -0.963 . . . . 0.0 111.401 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.2 mttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.26 -179.863 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.213 0.53 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -131.99 41.82 3.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 110.225 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.1 176.98 9.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.2 mt -71.09 -25.97 62.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.392 -0.818 . . . . 0.0 110.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.05 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.165 0.983 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.91 90.43 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.721 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.726 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.06 -10.21 56.46 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.676 -0.64 . . . . 0.0 111.308 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -23.95 65.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.407 177.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 64.2 m -92.88 -16.09 25.64 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.742 -0.598 . . . . 0.0 110.206 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.726 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.8 m95 -68.8 -32.59 72.42 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.86 . . . . 0.0 109.458 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -50.55 -41.78 54.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.491 -0.756 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -64.3 -27.35 68.97 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.32 -34.68 28.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.493 -0.883 . . . . 0.0 109.151 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.09 -32.63 72.29 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -66.78 -30.95 71.28 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.889 0.852 . . . . 0.0 109.498 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -47.51 67.13 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.635 0.731 . . . . 0.0 110.528 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -85.76 91.08 8.21 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.777 0.798 . . . . 0.0 109.763 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 62.4 m -83.44 39.36 0.66 Allowed 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 121.258 0.551 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.637 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.9 mm -58.76 -46.21 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 59.5 p -48.91 -19.86 0.44 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.83 0.824 . . . . 0.0 109.62 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.5 t30 -81.16 -37.69 28.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.752 0.787 . . . . 0.0 109.307 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.637 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -79.09 -28.11 43.0 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.36 0.6 . . . . 0.0 110.167 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.882 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.7 mt -75.23 -18.05 60.2 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.066 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -21.66 66.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.252 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.498 -0.751 . . . . 0.0 109.491 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.882 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.5 pt -119.43 -12.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.205 -0.934 . . . . 0.0 111.582 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.125 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.205 0.526 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.11 -173.24 2.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 0.0 110.237 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.94 167.28 16.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.845 . . . . 0.0 110.217 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 93.6 mt -84.55 -25.78 28.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.395 -0.816 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -49.77 31.0 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.285 1.04 . . . . 0.0 110.298 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.37 90.44 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.682 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.712 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.76 -10.36 56.13 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.312 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.4 p30 -62.08 -20.87 64.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.029 -1.045 . . . . 0.0 108.298 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 97.0 p -93.95 -16.66 23.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.712 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.0 m95 -70.86 -35.29 72.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.335 -0.853 . . . . 0.0 109.852 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.5 ptmt -49.31 -39.74 32.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.4 -0.813 . . . . 0.0 110.525 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.4 -27.08 68.29 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 666' ' ' TRP . 6.6 tt -81.98 -35.04 29.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.119 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.531 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.08 -32.35 72.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.022 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 22.3 t -68.23 -29.62 68.48 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -29.64 69.47 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.59 51.73 2.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.588 -0.695 . . . . 0.0 110.404 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.53 40.54 1.02 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.228 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.623 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -56.72 -47.13 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.393 -0.817 . . . . 0.0 110.396 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 65.4 p -49.05 -19.94 0.48 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.803 0.811 . . . . 0.0 109.723 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.8 t30 -81.68 -35.12 30.24 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.709 0.766 . . . . 0.0 109.227 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.623 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.07 -28.03 35.46 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.431 0.634 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.7 mt -77.86 -17.66 57.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.0 110.497 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.33 -21.91 63.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.85 -21.19 59.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.31 -0.869 . . . . 0.0 109.171 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.94 9.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.214 -0.929 . . . . 0.0 111.416 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.152 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.264 0.554 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 110.96 1.74 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.346 -0.846 . . . . 0.0 110.164 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.06 177.36 7.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 89.9 mt -84.03 -25.67 29.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -50.22 22.41 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.224 1.012 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.413 ' HB1' ' OD2' ' A' ' 664' ' ' ASP . . . -63.2 90.4 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.655 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.713 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.35 -10.27 57.17 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.262 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.7 p30 -61.24 -21.75 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 108.386 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 -16.62 23.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.678 -0.639 . . . . 0.0 109.986 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.713 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 28.8 m95 -70.75 -34.94 72.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.341 -0.849 . . . . 0.0 110.114 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 8.0 ptpt -49.61 -40.64 39.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.31 -0.869 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.8 m-80 -65.45 -27.27 68.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 7.0 tt -82.34 -34.79 28.36 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.141 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.77 -32.5 71.81 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -66.21 -30.71 71.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.084 0.945 . . . . 0.0 109.619 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -53.33 17.31 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.843 0.83 . . . . 0.0 110.335 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -86.03 95.91 9.67 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.78 0.8 . . . . 0.0 109.772 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 9.4 t -78.58 39.47 0.34 Allowed 'General case' 0 C--N 1.288 -2.072 0 CA-C-O 121.286 0.565 . . . . 0.0 110.237 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.674 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.77 -45.99 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.511 -0.743 . . . . 0.0 110.404 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.3 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.771 0.796 . . . . 0.0 109.676 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 675' ' ' ILE . 9.1 t30 -81.28 -35.04 31.6 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.763 0.792 . . . . 0.0 109.169 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.674 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.49 -27.81 31.57 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.632 -0.668 . . . . 0.0 110.142 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.861 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -77.78 -18.46 56.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.541 -0.724 . . . . 0.0 110.535 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.456 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.24 -20.93 64.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.145 -0.972 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.434 ' HD2' HG23 ' A' ' 682' ' ' ILE . 84.0 t80 -75.04 -21.9 58.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.155 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.861 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.7 pt -119.57 -13.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.159 -0.963 . . . . 0.0 111.473 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 46.0 mttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.223 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.184 0.516 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -125.25 179.23 5.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 110.199 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -85.05 174.73 9.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.41 -0.806 . . . . 0.0 110.196 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.7 -25.74 59.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.405 -0.809 . . . . 0.0 110.254 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -47.96 63.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.307 1.051 . . . . 0.0 110.14 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.13 90.52 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.828 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.717 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.25 -10.34 53.88 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.635 -0.666 . . . . 0.0 111.323 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 27.5 m-20 -61.8 -21.08 64.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.058 -1.027 . . . . 0.0 108.294 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 3.3 t -93.91 -16.91 23.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.596 -0.69 . . . . 0.0 109.851 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.717 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.4 m95 -70.58 -35.37 73.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.276 -0.89 . . . . 0.0 109.87 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.1 ptmt -49.7 -39.73 37.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.421 -0.8 . . . . 0.0 110.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ASN . . . . . 0.426 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 1.1 t-20 -65.61 -26.82 68.01 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.1 -34.96 29.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.075 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.99 -32.31 71.9 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.6 t -67.67 -29.91 69.31 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.872 0.844 . . . . 0.0 109.618 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -33.16 74.28 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.575 0.702 . . . . 0.0 110.767 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -76.39 62.22 1.8 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.541 0.686 . . . . 0.0 110.151 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.34 40.21 1.0 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.607 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -57.27 -46.9 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 58.7 p -48.86 -19.95 0.44 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.61 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 19.4 t-20 -81.4 -37.5 28.06 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.333 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.607 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -77.92 -28.01 49.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 682' ' ' ILE . 8.6 mt -75.11 -17.99 60.34 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -21.97 66.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.18 -21.89 59.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.523 -0.736 . . . . 0.0 109.721 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.3 pt -119.18 -9.78 11.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 120.95 -1.094 . . . . 0.0 111.732 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 679' ' ' LEU . 21.3 ttmt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.153 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.181 0.515 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 28.7 tttt 52.72 56.75 7.18 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.341 -0.849 . . . . 0.0 110.482 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.93 157.49 21.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.866 . . . . 0.0 110.208 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.11 -26.12 36.42 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -49.65 31.3 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.185 0.993 . . . . 0.0 110.18 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.24 90.53 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.732 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.728 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.6 -10.37 55.51 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.669 -0.645 . . . . 0.0 111.321 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.15 -23.94 65.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 108.456 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 29.6 m -92.91 -16.06 25.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.73 -0.606 . . . . 0.0 110.347 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.728 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.1 m95 -68.27 -32.72 73.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -50.24 -41.39 50.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.55 -0.719 . . . . 0.0 110.381 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -27.37 69.04 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.13 -34.83 29.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.0 -33.08 72.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 40.6 t -66.91 -30.78 71.02 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.974 0.893 . . . . 0.0 109.675 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -30.14 70.24 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.4 60.51 3.84 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.579 0.704 . . . . 0.0 110.164 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.0 t -90.22 39.86 0.98 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.693 . . . . 0.0 110.416 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.633 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.21 -46.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.336 -0.853 . . . . 0.0 110.261 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.7 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.803 0.811 . . . . 0.0 109.661 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.3 t-20 -81.46 -35.32 30.7 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.757 0.789 . . . . 0.0 109.146 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.633 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.3 -27.4 35.07 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.454 0.645 . . . . 0.0 110.242 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.846 ' CD2' HD11 ' A' ' 682' ' ' ILE . 8.1 mt -78.64 -17.64 55.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.452 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.54 -21.43 63.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 110.077 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.486 ' HD2' HG23 ' A' ' 682' ' ' ILE . 64.5 t80 -73.32 -19.67 60.97 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.424 -0.797 . . . . 0.0 109.321 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.846 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.5 pt -119.29 -10.14 11.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.981 -1.074 . . . . 0.0 111.495 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.533 ' HZ2' HD13 ' A' ' 679' ' ' LEU . 2.3 tptt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.141 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.87 149.79 43.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.339 -0.851 . . . . 0.0 110.167 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -173.0 4.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.837 . . . . 0.0 110.257 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.9 mt -83.53 -25.67 30.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -48.47 59.97 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.31 1.052 . . . . 0.0 110.108 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.31 90.61 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.774 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.73 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.05 -10.41 53.6 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.641 -0.662 . . . . 0.0 111.329 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.16 -23.69 65.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.014 -1.054 . . . . 0.0 108.514 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.9 t -93.14 -16.07 25.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.672 -0.642 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.73 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.9 m95 -68.09 -33.14 73.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.364 -0.835 . . . . 0.0 109.365 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -50.3 -41.36 50.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.394 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.35 -27.16 68.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.08 -34.81 29.2 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.147 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.95 -33.06 72.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.791 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.3 t -66.61 -30.99 71.41 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.915 0.864 . . . . 0.0 109.549 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -30.8 70.17 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.609 0.719 . . . . 0.0 110.562 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -85.74 85.19 7.41 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.699 0.761 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 79.0 p -89.1 39.78 0.95 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.645 -0.659 . . . . 0.0 110.398 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.647 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -58.23 -46.77 88.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.342 -0.848 . . . . 0.0 110.363 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.9 t -48.98 -19.77 0.44 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.795 0.807 . . . . 0.0 109.715 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 675' ' ' ILE . 63.0 t30 -81.51 -35.35 30.51 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.659 0.742 . . . . 0.0 109.191 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.647 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.14 -27.8 35.36 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.856 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.5 mt -77.93 -17.73 56.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.573 -0.704 . . . . 0.0 110.474 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.457 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.19 -22.27 63.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -74.67 -20.98 59.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.209 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.856 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.149 -0.969 . . . . 0.0 111.414 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.0 mttt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.135 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.476 0.655 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -49.0 43.3 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.225 1.012 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.22 90.41 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.781 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.89 -10.06 57.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.715 -0.616 . . . . 0.0 111.348 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.89 -23.53 66.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.067 . . . . 0.0 108.284 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.7 m -92.87 -15.47 26.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.708 -0.62 . . . . 0.0 110.088 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.703 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.5 m95 -70.47 -32.02 69.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 109.643 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -49.09 -41.61 36.19 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.458 -0.776 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.7 -30.59 71.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.823 HD13 ' C ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -81.89 -35.74 28.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.813 ' N ' HD13 ' A' ' 669' ' ' LEU . 5.6 m95 -63.07 -31.23 72.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 0.0 108.92 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.1 t -69.36 -28.29 66.08 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 121.833 0.825 . . . . 0.0 110.249 -179.026 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.649 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.2 mm -59.91 -46.74 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.2 t -48.99 -19.86 0.45 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.878 0.846 . . . . 0.0 109.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 675' ' ' ILE . 35.3 t30 -80.6 -38.79 28.71 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.815 0.817 . . . . 0.0 109.015 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.649 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -75.66 -27.75 58.45 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 121.456 0.646 . . . . 0.0 109.774 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 1.113 HD23 HD11 ' A' ' 682' ' ' ILE . 10.0 mt -74.13 -18.92 60.73 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.606 -0.684 . . . . 0.0 110.281 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.84 67.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.314 -0.866 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -75.79 -23.03 55.85 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 1.113 HD11 HD23 ' A' ' 679' ' ' LEU . 1.4 pt -119.08 -12.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.09 -1.006 . . . . 0.0 111.549 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 679' ' ' LEU . 4.8 ttpt . . . . . 0 C--N 1.299 -1.613 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.116 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.502 0.667 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -50.77 16.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.128 0.966 . . . . 0.0 110.356 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.06 90.48 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.715 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.721 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.8 -10.19 57.48 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.313 -179.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.07 -24.14 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.96 -1.087 . . . . 0.0 108.438 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 57.1 m -92.89 -15.85 25.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.728 -0.607 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.721 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 20.7 m95 -68.37 -32.08 71.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -50.73 -42.13 57.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.519 -0.738 . . . . 0.0 110.481 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.93 -27.82 69.4 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.6 tt -82.21 -34.19 29.04 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.106 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.13 -33.14 72.91 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -65.16 -31.63 72.92 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.047 0.927 . . . . 0.0 109.532 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.842 0.829 . . . . 0.0 110.123 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.281 0.562 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.716 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -61.19 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.808 . . . . 0.0 110.422 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.1 t -48.72 -19.8 0.4 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.953 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 675' ' ' ILE . 7.7 m120 -81.22 -35.29 31.47 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.814 0.816 . . . . 0.0 109.006 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.716 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.652 -0.655 . . . . 0.0 110.05 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.86 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -78.46 -18.4 54.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.594 -0.691 . . . . 0.0 110.453 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.2 -21.37 64.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.135 -0.978 . . . . 0.0 109.889 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -74.65 -21.32 59.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.412 -0.805 . . . . 0.0 109.15 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.86 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.62 -12.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.388 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.257 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.529 0.68 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -49.97 24.45 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.229 1.014 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.87 90.42 0.06 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.653 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.717 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.89 -10.33 56.48 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.664 -0.647 . . . . 0.0 111.255 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 1.9 m-20 -61.69 -21.27 64.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.303 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 6.1 m -94.06 -16.63 23.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.668 -0.645 . . . . 0.0 110.03 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.717 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 27.8 m95 -70.3 -35.51 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 7.8 ptpt -49.21 -39.92 31.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.38 -0.825 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.1 m-20 -65.6 -26.7 67.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.394 -0.816 . . . . 0.0 108.84 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.19 -35.12 28.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.056 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.89 -32.42 71.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 108.782 178.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -67.76 -29.77 69.06 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.817 0.818 . . . . 0.0 109.561 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.521 0.677 . . . . 0.0 110.8 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.152 0.501 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.63 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.6 mm -58.05 -47.41 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.6 t -49.0 -19.91 0.46 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.859 0.837 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.7 t-20 -80.92 -37.75 29.07 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.763 0.792 . . . . 0.0 109.142 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.63 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -76.39 -27.39 56.32 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.33 0.586 . . . . 0.0 110.017 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 1.118 HD23 HD11 ' A' ' 682' ' ' ILE . 10.6 mt -74.83 -17.95 60.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -24.47 66.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -0.852 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -73.8 -22.25 59.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.514 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 1.118 HD11 HD23 ' A' ' 679' ' ' LEU . 1.2 pt -119.14 -8.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.083 -1.011 . . . . 0.0 111.469 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.11 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.49 0.662 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -51.14 15.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.189 0.995 . . . . 0.0 110.343 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.83 90.43 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.674 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.714 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.45 -10.18 56.88 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.566 -0.709 . . . . 0.0 111.333 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.59 -24.34 65.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.963 -1.086 . . . . 0.0 108.288 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.8 t -92.19 -14.74 28.58 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.299 0.571 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.714 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 26.9 m95 -72.75 -30.01 63.79 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.34 -0.85 . . . . 0.0 109.983 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -51.27 -41.6 60.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -65.15 -30.65 71.59 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 669' ' ' LEU . 0.5 OUTLIER -77.43 -38.24 50.03 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.54 ' HA ' ' CE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.13 -32.54 71.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 108.413 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -30.11 69.46 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.727 0.775 . . . . 0.0 109.41 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.826 0.822 . . . . 0.0 110.399 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.632 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -58.79 -46.62 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 61.0 p -49.15 -19.91 0.51 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.805 0.812 . . . . 0.0 109.661 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -81.37 -35.63 30.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.82 0.819 . . . . 0.0 109.085 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.632 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.2 -28.44 31.99 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.656 -0.652 . . . . 0.0 110.199 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.883 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -77.82 -17.94 56.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.543 -0.723 . . . . 0.0 110.429 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.453 ' O ' ' CE3' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.77 -21.64 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.907 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -75.46 -21.28 58.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.241 -0.912 . . . . 0.0 109.225 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 679' ' ' LEU . 2.1 pt -119.62 -13.43 9.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.16 -0.963 . . . . 0.0 111.401 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.2 mttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.26 -179.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.55 0.691 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.05 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.165 0.983 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.91 90.43 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.721 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.726 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.06 -10.21 56.46 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.676 -0.64 . . . . 0.0 111.308 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -23.95 65.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.407 177.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 64.2 m -92.88 -16.09 25.64 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.742 -0.598 . . . . 0.0 110.206 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.726 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.8 m95 -68.8 -32.59 72.42 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.86 . . . . 0.0 109.458 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -50.55 -41.78 54.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.491 -0.756 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -64.3 -27.35 68.97 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.32 -34.68 28.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.493 -0.883 . . . . 0.0 109.151 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.09 -32.63 72.29 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -66.78 -30.95 71.28 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.889 0.852 . . . . 0.0 109.498 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.635 0.731 . . . . 0.0 110.528 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.258 0.551 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.637 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.9 mm -58.76 -46.21 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 59.5 p -48.91 -19.86 0.44 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.83 0.824 . . . . 0.0 109.62 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.5 t30 -81.16 -37.69 28.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.752 0.787 . . . . 0.0 109.307 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.637 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -79.09 -28.11 43.0 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.36 0.6 . . . . 0.0 110.167 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.882 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.7 mt -75.23 -18.05 60.2 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.066 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -21.66 66.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.252 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.498 -0.751 . . . . 0.0 109.491 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.882 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.5 pt -119.43 -12.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.205 -0.934 . . . . 0.0 111.582 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.125 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.489 0.661 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -49.77 31.0 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.285 1.04 . . . . 0.0 110.298 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.37 90.44 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.682 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.712 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.76 -10.36 56.13 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.312 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.4 p30 -62.08 -20.87 64.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.029 -1.045 . . . . 0.0 108.298 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 97.0 p -93.95 -16.66 23.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.712 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.0 m95 -70.86 -35.29 72.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.335 -0.853 . . . . 0.0 109.852 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.5 ptmt -49.31 -39.74 32.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.4 -0.813 . . . . 0.0 110.525 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.4 -27.08 68.29 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 666' ' ' TRP . 6.6 tt -81.98 -35.04 29.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.119 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.531 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.08 -32.35 72.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.022 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 22.3 t -68.23 -29.62 68.48 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.189 0.519 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.623 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -56.72 -47.13 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.393 -0.817 . . . . 0.0 110.396 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 65.4 p -49.05 -19.94 0.48 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.803 0.811 . . . . 0.0 109.723 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.8 t30 -81.68 -35.12 30.24 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.709 0.766 . . . . 0.0 109.227 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.623 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.07 -28.03 35.46 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.431 0.634 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.7 mt -77.86 -17.66 57.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.0 110.497 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.33 -21.91 63.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.85 -21.19 59.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.31 -0.869 . . . . 0.0 109.171 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.94 9.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.214 -0.929 . . . . 0.0 111.416 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.152 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.504 0.669 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -50.22 22.41 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.224 1.012 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . 0.413 ' HB1' ' OD2' ' A' ' 664' ' ' ASP . . . -63.2 90.4 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.655 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.713 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.35 -10.27 57.17 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.262 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.7 p30 -61.24 -21.75 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 108.386 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 -16.62 23.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.678 -0.639 . . . . 0.0 109.986 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.713 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 28.8 m95 -70.75 -34.94 72.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.341 -0.849 . . . . 0.0 110.114 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 8.0 ptpt -49.61 -40.64 39.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.31 -0.869 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.8 m-80 -65.45 -27.27 68.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 7.0 tt -82.34 -34.79 28.36 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.141 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.77 -32.5 71.81 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -66.21 -30.71 71.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.084 0.945 . . . . 0.0 109.619 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.843 0.83 . . . . 0.0 110.335 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.674 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.77 -45.99 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.511 -0.743 . . . . 0.0 110.404 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.3 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.771 0.796 . . . . 0.0 109.676 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 675' ' ' ILE . 9.1 t30 -81.28 -35.04 31.6 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.763 0.792 . . . . 0.0 109.169 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.674 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.49 -27.81 31.57 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.632 -0.668 . . . . 0.0 110.142 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.861 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -77.78 -18.46 56.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.541 -0.724 . . . . 0.0 110.535 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.456 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.24 -20.93 64.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.145 -0.972 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.434 ' HD2' HG23 ' A' ' 682' ' ' ILE . 84.0 t80 -75.04 -21.9 58.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.155 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.861 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.7 pt -119.57 -13.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.159 -0.963 . . . . 0.0 111.473 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 46.0 mttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.223 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.49 0.662 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -47.96 63.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.307 1.051 . . . . 0.0 110.14 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.13 90.52 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.828 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.717 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.25 -10.34 53.88 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.635 -0.666 . . . . 0.0 111.323 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 27.5 m-20 -61.8 -21.08 64.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.058 -1.027 . . . . 0.0 108.294 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 3.3 t -93.91 -16.91 23.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.596 -0.69 . . . . 0.0 109.851 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.717 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.4 m95 -70.58 -35.37 73.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.276 -0.89 . . . . 0.0 109.87 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.1 ptmt -49.7 -39.73 37.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.421 -0.8 . . . . 0.0 110.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . 0.426 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 1.1 t-20 -65.61 -26.82 68.01 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.1 -34.96 29.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.075 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.99 -32.31 71.9 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.6 t -67.67 -29.91 69.31 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.872 0.844 . . . . 0.0 109.618 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.575 0.702 . . . . 0.0 110.767 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.194 0.521 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.607 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -57.27 -46.9 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 58.7 p -48.86 -19.95 0.44 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.61 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 19.4 t-20 -81.4 -37.5 28.06 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.333 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.607 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -77.92 -28.01 49.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 682' ' ' ILE . 8.6 mt -75.11 -17.99 60.34 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -21.97 66.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.18 -21.89 59.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.523 -0.736 . . . . 0.0 109.721 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.3 pt -119.18 -9.78 11.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 120.95 -1.094 . . . . 0.0 111.732 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 679' ' ' LEU . 21.3 ttmt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.153 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.434 0.635 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -49.65 31.3 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.185 0.993 . . . . 0.0 110.18 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.24 90.53 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.732 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.728 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.6 -10.37 55.51 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.669 -0.645 . . . . 0.0 111.321 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.15 -23.94 65.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 108.456 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 29.6 m -92.91 -16.06 25.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.73 -0.606 . . . . 0.0 110.347 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.728 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.1 m95 -68.27 -32.72 73.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -50.24 -41.39 50.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.55 -0.719 . . . . 0.0 110.381 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -27.37 69.04 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.13 -34.83 29.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.0 -33.08 72.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 40.6 t -66.91 -30.78 71.02 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.974 0.893 . . . . 0.0 109.675 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.633 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.21 -46.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.336 -0.853 . . . . 0.0 110.261 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.7 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.803 0.811 . . . . 0.0 109.661 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.3 t-20 -81.46 -35.32 30.7 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.757 0.789 . . . . 0.0 109.146 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.633 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.3 -27.4 35.07 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.454 0.645 . . . . 0.0 110.242 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.846 ' CD2' HD11 ' A' ' 682' ' ' ILE . 8.1 mt -78.64 -17.64 55.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.452 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.54 -21.43 63.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 110.077 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.486 ' HD2' HG23 ' A' ' 682' ' ' ILE . 64.5 t80 -73.32 -19.67 60.97 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.424 -0.797 . . . . 0.0 109.321 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.846 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.5 pt -119.29 -10.14 11.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.981 -1.074 . . . . 0.0 111.495 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . 0.533 ' HZ2' HD13 ' A' ' 679' ' ' LEU . 2.3 tptt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.141 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.484 0.659 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -48.47 59.97 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.31 1.052 . . . . 0.0 110.108 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.31 90.61 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.774 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.73 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.05 -10.41 53.6 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.641 -0.662 . . . . 0.0 111.329 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.16 -23.69 65.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.014 -1.054 . . . . 0.0 108.514 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.9 t -93.14 -16.07 25.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.672 -0.642 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.73 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.9 m95 -68.09 -33.14 73.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.364 -0.835 . . . . 0.0 109.365 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -50.3 -41.36 50.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.394 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.35 -27.16 68.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.08 -34.81 29.2 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.147 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.95 -33.06 72.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.3 t -66.61 -30.99 71.41 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.915 0.864 . . . . 0.0 109.549 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.609 0.719 . . . . 0.0 110.562 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.235 0.541 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.647 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -58.23 -46.77 88.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.342 -0.848 . . . . 0.0 110.363 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.9 t -48.98 -19.77 0.44 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.795 0.807 . . . . 0.0 109.715 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 675' ' ' ILE . 63.0 t30 -81.51 -35.35 30.51 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.659 0.742 . . . . 0.0 109.191 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' TRP . . . . . 0.647 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.14 -27.8 35.36 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' LEU . . . . . 0.856 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.5 mt -77.93 -17.73 56.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.573 -0.704 . . . . 0.0 110.474 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' TRP . . . . . 0.457 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.19 -22.27 63.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -74.67 -20.98 59.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.209 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' ILE . . . . . 0.856 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.149 -0.969 . . . . 0.0 111.414 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.0 mttt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.135 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.209 0.528 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -132.62 66.95 1.54 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.321 -0.862 . . . . 0.0 110.158 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.99 172.21 11.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.88 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.1 mt -77.71 -26.24 49.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.362 -0.836 . . . . 0.0 110.252 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -49.0 43.3 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.225 1.012 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.22 90.41 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.781 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.89 -10.06 57.15 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.715 -0.616 . . . . 0.0 111.348 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.89 -23.53 66.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.067 . . . . 0.0 108.284 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.7 m -92.87 -15.47 26.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.708 -0.62 . . . . 0.0 110.088 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.703 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.5 m95 -70.47 -32.02 69.38 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.403 -0.811 . . . . 0.0 109.643 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -49.09 -41.61 36.19 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.458 -0.776 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.7 -30.59 71.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.823 HD13 ' C ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -81.89 -35.74 28.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.813 ' N ' HD13 ' A' ' 669' ' ' LEU . 5.6 m95 -63.07 -31.23 72.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 0.0 108.92 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.1 t -69.36 -28.29 66.08 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -67.12 -31.85 72.59 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.833 0.825 . . . . 0.0 110.249 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.689 ' CE2' HD21 ' A' ' 669' ' ' LEU . 17.0 m-85 -86.2 87.5 7.44 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.63 0.729 . . . . 0.0 109.694 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 5.8 p -87.67 39.36 0.88 Allowed 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.833 -0.542 . . . . 0.0 110.572 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.649 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.2 mm -59.91 -46.74 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.2 t -48.99 -19.86 0.45 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.878 0.846 . . . . 0.0 109.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 675' ' ' ILE . 35.3 t30 -80.6 -38.79 28.71 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.815 0.817 . . . . 0.0 109.015 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.649 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -75.66 -27.75 58.45 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 121.456 0.646 . . . . 0.0 109.774 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 1.113 HD23 HD11 ' A' ' 682' ' ' ILE . 10.0 mt -74.13 -18.92 60.73 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.606 -0.684 . . . . 0.0 110.281 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.84 67.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.314 -0.866 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -75.79 -23.03 55.85 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 109.622 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 1.113 HD11 HD23 ' A' ' 679' ' ' LEU . 1.4 pt -119.08 -12.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.09 -1.006 . . . . 0.0 111.549 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 679' ' ' LEU . 4.8 ttpt . . . . . 0 C--N 1.299 -1.613 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.116 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -149.22 41.81 0.91 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.175 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.15 175.1 10.94 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.357 -0.84 . . . . 0.0 110.154 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.75 -25.85 53.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.419 -0.801 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -50.77 16.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.128 0.966 . . . . 0.0 110.356 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.06 90.48 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.715 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.721 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.8 -10.19 57.48 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.313 -179.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.07 -24.14 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.96 -1.087 . . . . 0.0 108.438 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 57.1 m -92.89 -15.85 25.91 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.728 -0.607 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.721 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 20.7 m95 -68.37 -32.08 71.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -50.73 -42.13 57.06 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.519 -0.738 . . . . 0.0 110.481 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.93 -27.82 69.4 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.6 tt -82.21 -34.19 29.04 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.429 -0.909 . . . . 0.0 109.106 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.13 -33.14 72.91 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -65.16 -31.63 72.92 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.047 0.927 . . . . 0.0 109.532 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -55.43 10.2 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.842 0.829 . . . . 0.0 110.123 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -85.94 96.12 9.7 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.707 0.765 . . . . 0.0 109.196 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.9 m -76.13 38.66 0.18 Allowed 'General case' 0 C--N 1.289 -2.05 0 CA-C-O 121.281 0.562 . . . . 0.0 110.562 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.716 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -61.19 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.808 . . . . 0.0 110.422 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.1 t -48.72 -19.8 0.4 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.953 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 675' ' ' ILE . 7.7 m120 -81.22 -35.29 31.47 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.814 0.816 . . . . 0.0 109.006 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.716 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.652 -0.655 . . . . 0.0 110.05 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.86 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -78.46 -18.4 54.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.594 -0.691 . . . . 0.0 110.453 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.2 -21.37 64.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.135 -0.978 . . . . 0.0 109.889 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -74.65 -21.32 59.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.412 -0.805 . . . . 0.0 109.15 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.86 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.62 -12.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.125 -0.984 . . . . 0.0 111.388 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.257 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.217 0.532 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 11.7 tptm 52.36 42.66 31.14 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.317 -0.864 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.9 166.73 18.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.351 -0.843 . . . . 0.0 110.201 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -82.97 -25.86 31.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.311 -0.868 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -49.97 24.45 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.229 1.014 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -63.87 90.42 0.06 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.653 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.717 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.89 -10.33 56.48 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.664 -0.647 . . . . 0.0 111.255 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 1.9 m-20 -61.69 -21.27 64.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.303 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 6.1 m -94.06 -16.63 23.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.668 -0.645 . . . . 0.0 110.03 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.717 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 27.8 m95 -70.3 -35.51 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 7.8 ptpt -49.21 -39.92 31.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.38 -0.825 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.1 m-20 -65.6 -26.7 67.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.394 -0.816 . . . . 0.0 108.84 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.19 -35.12 28.63 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.056 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.89 -32.42 71.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 108.782 178.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 t -67.76 -29.77 69.06 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.817 0.818 . . . . 0.0 109.561 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -30.96 70.27 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.521 0.677 . . . . 0.0 110.8 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -78.66 58.18 2.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.645 -0.659 . . . . 0.0 110.408 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 16.7 m -90.51 40.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.486 -0.759 . . . . 0.0 110.308 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.63 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.6 mm -58.05 -47.41 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.366 -0.834 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.6 t -49.0 -19.91 0.46 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.859 0.837 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.7 t-20 -80.92 -37.75 29.07 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.763 0.792 . . . . 0.0 109.142 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.63 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -76.39 -27.39 56.32 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.33 0.586 . . . . 0.0 110.017 179.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 1.118 HD23 HD11 ' A' ' 682' ' ' ILE . 10.6 mt -74.83 -17.95 60.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -24.47 66.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -0.852 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -73.8 -22.25 59.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.514 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 1.118 HD11 HD23 ' A' ' 679' ' ' LEU . 1.2 pt -119.14 -8.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.083 -1.011 . . . . 0.0 111.469 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.11 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 658' ' ' LYS . 17.7 mm-40 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.964 0.412 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 657' ' ' GLU . 1.0 OUTLIER 36.17 36.31 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.205 0.526 . . . . 0.0 111.54 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.11 176.39 8.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 110.22 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.65 -25.63 64.92 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.371 -0.831 . . . . 0.0 110.243 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -51.14 15.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.189 0.995 . . . . 0.0 110.343 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.83 90.43 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.674 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.714 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.45 -10.18 56.88 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.566 -0.709 . . . . 0.0 111.333 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.59 -24.34 65.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.963 -1.086 . . . . 0.0 108.288 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.8 t -92.19 -14.74 28.58 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.299 0.571 . . . . 0.0 110.153 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.714 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 26.9 m95 -72.75 -30.01 63.79 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.34 -0.85 . . . . 0.0 109.983 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -51.27 -41.6 60.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -65.15 -30.65 71.59 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 669' ' ' LEU . 0.5 OUTLIER -77.43 -38.24 50.03 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.54 ' HA ' ' CE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.13 -32.54 71.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 108.413 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -30.11 69.46 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.727 0.775 . . . . 0.0 109.41 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -47.04 64.54 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.826 0.822 . . . . 0.0 110.399 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -85.72 86.44 7.36 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.665 0.745 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 10.4 p -87.24 39.59 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.326 0.584 . . . . 0.0 110.156 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.632 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.4 mm -58.79 -46.62 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 61.0 p -49.15 -19.91 0.51 Allowed 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.805 0.812 . . . . 0.0 109.661 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -81.37 -35.63 30.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.82 0.819 . . . . 0.0 109.085 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.632 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.2 -28.44 31.99 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.656 -0.652 . . . . 0.0 110.199 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.883 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -77.82 -17.94 56.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.543 -0.723 . . . . 0.0 110.429 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.453 ' O ' ' CE3' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.77 -21.64 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.907 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -75.46 -21.28 58.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.241 -0.912 . . . . 0.0 109.225 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 679' ' ' LEU . 2.1 pt -119.62 -13.43 9.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.16 -0.963 . . . . 0.0 111.401 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.2 mttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.26 -179.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.213 0.53 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -131.99 41.82 3.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 110.225 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.1 176.98 9.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 0.0 110.179 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.2 mt -71.09 -25.97 62.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.392 -0.818 . . . . 0.0 110.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.05 23.1 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.165 0.983 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.91 90.43 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.721 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.726 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.06 -10.21 56.46 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.676 -0.64 . . . . 0.0 111.308 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -23.95 65.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.407 177.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 64.2 m -92.88 -16.09 25.64 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.742 -0.598 . . . . 0.0 110.206 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.726 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.8 m95 -68.8 -32.59 72.42 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.86 . . . . 0.0 109.458 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -50.55 -41.78 54.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.491 -0.756 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -64.3 -27.35 68.97 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.32 -34.68 28.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.493 -0.883 . . . . 0.0 109.151 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.09 -32.63 72.29 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -66.78 -30.95 71.28 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.889 0.852 . . . . 0.0 109.498 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -47.51 67.13 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.635 0.731 . . . . 0.0 110.528 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -85.76 91.08 8.21 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.777 0.798 . . . . 0.0 109.763 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 62.4 m -83.44 39.36 0.66 Allowed 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 121.258 0.551 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.637 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.9 mm -58.76 -46.21 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 121.387 -0.821 . . . . 0.0 110.309 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 59.5 p -48.91 -19.86 0.44 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.83 0.824 . . . . 0.0 109.62 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.5 t30 -81.16 -37.69 28.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.752 0.787 . . . . 0.0 109.307 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.637 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -79.09 -28.11 43.0 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.36 0.6 . . . . 0.0 110.167 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.882 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.7 mt -75.23 -18.05 60.2 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.066 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -21.66 66.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.252 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.498 -0.751 . . . . 0.0 109.491 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.882 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.5 pt -119.43 -12.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.205 -0.934 . . . . 0.0 111.582 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.125 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.205 0.526 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.11 -173.24 2.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 0.0 110.237 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.94 167.28 16.06 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.845 . . . . 0.0 110.217 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 93.6 mt -84.55 -25.78 28.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.395 -0.816 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -49.77 31.0 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 122.285 1.04 . . . . 0.0 110.298 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.37 90.44 0.03 OUTLIER 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.682 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.712 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.76 -10.36 56.13 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.312 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.4 p30 -62.08 -20.87 64.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.029 -1.045 . . . . 0.0 108.298 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 97.0 p -93.95 -16.66 23.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.622 -0.674 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.712 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.0 m95 -70.86 -35.29 72.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.335 -0.853 . . . . 0.0 109.852 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.5 ptmt -49.31 -39.74 32.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.4 -0.813 . . . . 0.0 110.525 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.4 -27.08 68.29 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 666' ' ' TRP . 6.6 tt -81.98 -35.04 29.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.119 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.531 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.08 -32.35 72.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.022 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 22.3 t -68.23 -29.62 68.48 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -29.64 69.47 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.59 51.73 2.2 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.588 -0.695 . . . . 0.0 110.404 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.53 40.54 1.02 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.228 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.623 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -56.72 -47.13 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.393 -0.817 . . . . 0.0 110.396 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 65.4 p -49.05 -19.94 0.48 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.803 0.811 . . . . 0.0 109.723 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 675' ' ' ILE . 13.8 t30 -81.68 -35.12 30.24 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.709 0.766 . . . . 0.0 109.227 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.623 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.07 -28.03 35.46 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.431 0.634 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.7 mt -77.86 -17.66 57.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.0 110.497 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.33 -21.91 63.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.85 -21.19 59.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.31 -0.869 . . . . 0.0 109.171 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.94 9.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.214 -0.929 . . . . 0.0 111.416 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.152 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.264 0.554 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 110.96 1.74 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.346 -0.846 . . . . 0.0 110.164 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.06 177.36 7.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 110.185 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 89.9 mt -84.03 -25.67 29.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -50.22 22.41 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.224 1.012 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.413 ' HB1' ' OD2' ' A' ' 664' ' ' ASP . . . -63.2 90.4 0.04 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.655 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.713 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -69.35 -10.27 57.17 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.262 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 2.7 p30 -61.24 -21.75 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 108.386 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 -16.62 23.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.678 -0.639 . . . . 0.0 109.986 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.713 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 28.8 m95 -70.75 -34.94 72.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.341 -0.849 . . . . 0.0 110.114 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 8.0 ptpt -49.61 -40.64 39.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.31 -0.869 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 5.8 m-80 -65.45 -27.27 68.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 7.0 tt -82.34 -34.79 28.36 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.141 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.77 -32.5 71.81 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -66.21 -30.71 71.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.084 0.945 . . . . 0.0 109.619 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -53.33 17.31 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.843 0.83 . . . . 0.0 110.335 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -86.03 95.91 9.67 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.78 0.8 . . . . 0.0 109.772 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 9.4 t -78.58 39.47 0.34 Allowed 'General case' 0 C--N 1.288 -2.072 0 CA-C-O 121.286 0.565 . . . . 0.0 110.237 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.674 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.77 -45.99 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.511 -0.743 . . . . 0.0 110.404 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 11.3 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.771 0.796 . . . . 0.0 109.676 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.403 ' N ' ' C ' ' A' ' 675' ' ' ILE . 9.1 t30 -81.28 -35.04 31.6 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.763 0.792 . . . . 0.0 109.169 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.674 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -82.49 -27.81 31.57 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.632 -0.668 . . . . 0.0 110.142 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.861 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.6 mt -77.78 -18.46 56.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.541 -0.724 . . . . 0.0 110.535 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.456 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -68.24 -20.93 64.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.145 -0.972 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.434 ' HD2' HG23 ' A' ' 682' ' ' ILE . 84.0 t80 -75.04 -21.9 58.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.155 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.861 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.7 pt -119.57 -13.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.159 -0.963 . . . . 0.0 111.473 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 46.0 mttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.223 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.184 0.516 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -125.25 179.23 5.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 110.199 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -85.05 174.73 9.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.41 -0.806 . . . . 0.0 110.196 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.7 -25.74 59.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.405 -0.809 . . . . 0.0 110.254 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -47.96 63.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.307 1.051 . . . . 0.0 110.14 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.13 90.52 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.828 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.717 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.25 -10.34 53.88 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.635 -0.666 . . . . 0.0 111.323 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 27.5 m-20 -61.8 -21.08 64.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.058 -1.027 . . . . 0.0 108.294 177.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 3.3 t -93.91 -16.91 23.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.596 -0.69 . . . . 0.0 109.851 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.717 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 29.4 m95 -70.58 -35.37 73.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.276 -0.89 . . . . 0.0 109.87 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 664' ' ' ASP . 21.1 ptmt -49.7 -39.73 37.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.421 -0.8 . . . . 0.0 110.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . 0.426 ' N ' ' HG3' ' A' ' 667' ' ' LYS . 1.1 t-20 -65.61 -26.82 68.01 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.1 -34.96 29.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.075 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.533 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.99 -32.31 71.9 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.6 t -67.67 -29.91 69.31 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.872 0.844 . . . . 0.0 109.618 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -33.16 74.28 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.575 0.702 . . . . 0.0 110.767 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -76.39 62.22 1.8 Allowed 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.541 0.686 . . . . 0.0 110.151 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.34 40.21 1.0 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.607 HG23 ' CD1' ' A' ' 678' ' ' TRP . 10.8 mm -57.27 -46.9 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.313 -0.867 . . . . 0.0 110.238 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 58.7 p -48.86 -19.95 0.44 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.61 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 19.4 t-20 -81.4 -37.5 28.06 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.333 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.607 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -77.92 -28.01 49.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 682' ' ' ILE . 8.6 mt -75.11 -17.99 60.34 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -21.97 66.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.18 -21.89 59.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.523 -0.736 . . . . 0.0 109.721 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.3 pt -119.18 -9.78 11.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 120.95 -1.094 . . . . 0.0 111.732 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 679' ' ' LEU . 21.3 ttmt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.153 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.181 0.515 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 28.7 tttt 52.72 56.75 7.18 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.341 -0.849 . . . . 0.0 110.482 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.93 157.49 21.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.315 -0.866 . . . . 0.0 110.208 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.11 -26.12 36.42 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 -49.65 31.3 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.185 0.993 . . . . 0.0 110.18 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.24 90.53 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.732 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.728 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.6 -10.37 55.51 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.669 -0.645 . . . . 0.0 111.321 -179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.15 -23.94 65.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 108.456 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 29.6 m -92.91 -16.06 25.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.73 -0.606 . . . . 0.0 110.347 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.728 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 22.1 m95 -68.27 -32.72 73.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -50.24 -41.39 50.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.55 -0.719 . . . . 0.0 110.381 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -27.37 69.04 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.13 -34.83 29.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -61.0 -33.08 72.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 40.6 t -66.91 -30.78 71.02 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.974 0.893 . . . . 0.0 109.675 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -30.14 70.24 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.4 60.51 3.84 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.579 0.704 . . . . 0.0 110.164 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.0 t -90.22 39.86 0.98 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.693 . . . . 0.0 110.416 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.633 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -57.21 -46.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.336 -0.853 . . . . 0.0 110.261 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.7 t -48.92 -19.78 0.43 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.803 0.811 . . . . 0.0 109.661 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 675' ' ' ILE . 6.3 t-20 -81.46 -35.32 30.7 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.757 0.789 . . . . 0.0 109.146 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.633 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.3 -27.4 35.07 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.454 0.645 . . . . 0.0 110.242 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.846 ' CD2' HD11 ' A' ' 682' ' ' ILE . 8.1 mt -78.64 -17.64 55.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.452 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.54 -21.43 63.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.17 -0.956 . . . . 0.0 110.077 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.486 ' HD2' HG23 ' A' ' 682' ' ' ILE . 64.5 t80 -73.32 -19.67 60.97 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.424 -0.797 . . . . 0.0 109.321 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.846 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.5 pt -119.29 -10.14 11.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.981 -1.074 . . . . 0.0 111.495 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.533 ' HZ2' HD13 ' A' ' 679' ' ' LEU . 2.3 tptt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.141 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.87 149.79 43.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.339 -0.851 . . . . 0.0 110.167 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -173.0 4.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.36 -0.837 . . . . 0.0 110.257 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 92.9 mt -83.53 -25.67 30.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -48.47 59.97 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.31 1.052 . . . . 0.0 110.108 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.31 90.61 0.02 OUTLIER 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.774 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.73 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -68.05 -10.41 53.6 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.641 -0.662 . . . . 0.0 111.329 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.16 -23.69 65.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.014 -1.054 . . . . 0.0 108.514 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 8.9 t -93.14 -16.07 25.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.672 -0.642 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.73 ' CD1' ' HA ' ' A' ' 663' ' ' LEU . 21.9 m95 -68.09 -33.14 73.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.364 -0.835 . . . . 0.0 109.365 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -50.3 -41.36 50.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.394 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.35 -27.16 68.83 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 6.7 tt -82.08 -34.81 29.2 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.147 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -60.95 -33.06 72.59 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.3 t -66.61 -30.99 71.41 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.915 0.864 . . . . 0.0 109.549 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -30.8 70.17 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.609 0.719 . . . . 0.0 110.562 -178.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -85.74 85.19 7.41 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.699 0.761 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 79.0 p -89.1 39.78 0.95 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.645 -0.659 . . . . 0.0 110.398 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.647 HG23 ' CD1' ' A' ' 678' ' ' TRP . 11.0 mm -58.23 -46.77 88.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.342 -0.848 . . . . 0.0 110.363 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.9 t -48.98 -19.77 0.44 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.795 0.807 . . . . 0.0 109.715 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 675' ' ' ILE . 63.0 t30 -81.51 -35.35 30.51 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.659 0.742 . . . . 0.0 109.191 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.647 ' CD1' HG23 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.14 -27.8 35.36 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.856 ' CD2' HD11 ' A' ' 682' ' ' ILE . 7.5 mt -77.93 -17.73 56.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.573 -0.704 . . . . 0.0 110.474 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.457 ' CE3' ' O ' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.19 -22.27 63.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -74.67 -20.98 59.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.209 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.856 HD11 ' CD2' ' A' ' 679' ' ' LEU . 1.8 pt -119.41 -12.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.149 -0.969 . . . . 0.0 111.414 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.0 mttt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.135 -179.729 . . . . . . . . 0 0 . 1 stop_ save_