data_2me1_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 2me1 _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 ' 664' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.12 0.486 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -32.26 69.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.315 -0.866 . . . . 0.0 110.047 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -86.82 -16.87 34.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.401 -0.812 . . . . 0.0 110.546 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.95 83.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.138 -0.976 . . . . 0.0 111.3 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 88.5 p -65.04 -19.28 65.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 110.083 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -76.42 -43.04 42.07 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.233 -0.917 . . . . 0.0 109.946 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.69 -34.81 71.7 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.32 -27.69 62.6 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.723 0.773 . . . . 0.0 109.128 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.45 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.783 -0.573 . . . . 0.0 111.382 -177.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -32.41 71.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 109.862 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.421 ' CZ3' HD23 ' A' ' 669' ' ' LEU . 18.7 m95 -85.43 -17.0 37.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 110.363 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.05 80.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.23 -0.919 . . . . 0.0 111.129 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 89.7 p -65.57 -15.19 62.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 0.0 110.259 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.421 HD23 ' CZ3' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -81.22 -43.93 18.53 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.16 -0.963 . . . . 0.0 109.853 179.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -35.22 72.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.23 -28.27 63.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.491 -177.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -32.14 70.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.399 -0.813 . . . . 0.0 110.108 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -85.07 -17.07 38.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.488 -0.757 . . . . 0.0 110.611 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.37 80.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 111.479 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 50.0 p -65.66 -16.92 64.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.963 . . . . 0.0 110.174 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -79.79 -43.39 22.56 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.167 -0.958 . . . . 0.0 109.8 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -34.92 71.63 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.73 63.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.934 -0.479 . . . . 0.0 110.856 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.153 0.501 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -60.86 -32.67 72.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.418 ' CZ3' HD21 ' A' ' 669' ' ' LEU . 16.5 m95 -85.21 -16.82 39.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 110.627 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.33 81.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -14.76 61.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.188 -0.945 . . . . 0.0 110.497 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -82.64 -43.82 16.5 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.122 -0.986 . . . . 0.0 109.888 179.246 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -35.07 71.57 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.64 63.51 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.461 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.134 0.492 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -35.72 74.17 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.883 . . . . 0.0 109.764 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -85.13 -18.47 34.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.935 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.96 84.1 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 48.3 p -64.81 -19.38 65.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -0.943 . . . . 0.0 110.049 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -75.62 -42.78 50.82 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.143 -0.973 . . . . 0.0 109.766 179.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -59.04 -34.87 72.42 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.39 -28.88 63.27 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.756 0.789 . . . . 0.0 109.082 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.893 -0.505 . . . . 0.0 111.738 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.169 0.509 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -60.2 -31.62 70.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -85.65 -16.98 37.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.371 -0.83 . . . . 0.0 110.421 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.73 82.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.409 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 12.8 p -65.33 -17.15 64.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 110.17 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -79.18 -43.22 24.35 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.107 -0.996 . . . . 0.0 109.845 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -34.97 71.67 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.956 -0.465 . . . . 0.0 110.916 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.151 0.5 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 666' ' ' TRP . 3.4 ptmt -93.49 -30.67 14.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.415 ' N ' ' HG2' ' A' ' 665' ' ' LYS . 18.4 m95 -87.26 -16.71 34.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 110.974 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.03 81.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 110.787 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 14.8 p -67.67 -14.62 63.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.363 -0.836 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.63 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -85.65 -45.04 12.07 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.209 -0.932 . . . . 0.0 109.838 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -54.81 -32.73 60.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -74.03 -22.05 59.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.594 -0.691 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.63 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.4 t-105 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.648 -0.657 . . . . 0.0 112.301 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.101 0.477 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -29.67 70.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 109.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -86.34 -17.31 34.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.93 83.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.264 -0.898 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -19.34 65.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.95 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.6 OUTLIER -77.12 -42.89 36.17 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.224 -0.922 . . . . 0.0 109.738 179.178 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -58.89 -35.05 72.38 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.16 63.21 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.758 0.79 . . . . 0.0 108.879 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.803 -0.561 . . . . 0.0 111.195 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.22 -32.96 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -83.82 -18.62 37.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.54 83.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 111.028 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 58.3 p -67.94 -14.93 63.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.125 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.619 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.15 -45.16 11.62 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 121.191 -0.943 . . . . 0.0 109.804 179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -54.6 -32.51 58.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 0.0 108.801 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -74.15 -21.48 59.84 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.599 -0.688 . . . . 0.0 110.2 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.619 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.2 t-105 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.615 -0.678 . . . . 0.0 112.221 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.22 0.533 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -61.75 -34.37 75.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.382 -0.824 . . . . 0.0 110.073 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -84.7 -16.01 43.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 0.0 110.78 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.82 77.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.052 -1.03 . . . . 0.0 111.286 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 42.8 p -65.88 -14.88 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 110.07 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.469 ' N ' HD22 ' A' ' 669' ' ' LEU . 0.2 OUTLIER -79.24 -43.65 23.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.124 -0.985 . . . . 0.0 109.321 179.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.02 75.55 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -69.85 -31.5 69.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.218 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.943 -0.473 . . . . 0.0 110.917 -178.704 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.153 0.501 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -151.73 122.5 7.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.14 -147.95 0.31 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.398 -0.814 . . . . 0.0 110.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.6 mt -92.85 15.57 14.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.288 -0.883 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.69 -13.31 27.67 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.385 -0.822 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.04 143.99 33.58 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-O 121.127 0.489 . . . . 0.0 110.246 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.28 -34.05 66.08 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.345 -0.847 . . . . 0.0 110.593 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.73 -53.21 60.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.59 -0.694 . . . . 0.0 110.231 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -32.26 69.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.315 -0.866 . . . . 0.0 110.047 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -86.82 -16.87 34.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.401 -0.812 . . . . 0.0 110.546 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.95 83.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.138 -0.976 . . . . 0.0 111.3 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 88.5 p -65.04 -19.28 65.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 110.083 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -76.42 -43.04 42.07 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.233 -0.917 . . . . 0.0 109.946 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.69 -34.81 71.7 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.32 -27.69 62.6 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.723 0.773 . . . . 0.0 109.128 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.605 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.4 OUTLIER -62.03 -52.02 65.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.783 -0.573 . . . . 0.0 111.382 -177.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 672' ' ' TRP . 4.3 m-85 -45.75 -47.66 15.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.558 -1.339 . . . . 0.0 110.293 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -70.26 13.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.447 -0.783 . . . . 0.0 112.498 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.605 ' CG1' ' O ' ' A' ' 672' ' ' TRP . 1.8 mm -72.74 61.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.651 -1.281 . . . . 0.0 109.797 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.442 ' CG2' ' CD1' ' A' ' 679' ' ' LEU . 0.1 OUTLIER -87.16 35.03 0.69 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.249 -0.907 . . . . 0.0 110.449 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -91.07 -6.16 54.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.406 -0.809 . . . . 0.0 109.756 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.498 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 50.8 p-90 -94.2 -8.0 40.59 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.237 -0.915 . . . . 0.0 110.921 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.498 ' HG ' ' CZ3' ' A' ' 678' ' ' TRP . 0.7 OUTLIER -71.5 -29.53 64.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.705 -0.622 . . . . 0.0 111.168 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -24.32 67.46 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.295 -0.878 . . . . 0.0 110.333 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.14 -25.18 65.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.078 -1.014 . . . . 0.0 108.764 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.59 91.59 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.34 -0.85 . . . . 0.0 109.636 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.294 -1.811 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.199 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.219 0.533 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -124.91 118.5 26.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.138 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -96.94 101.14 12.66 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 110.032 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 10.8 mt -92.12 15.35 13.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.553 -0.717 . . . . 0.0 110.608 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.2 mt -101.88 -9.41 20.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.393 -0.817 . . . . 0.0 110.2 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -92.4 158.81 15.86 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 121.233 0.539 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.16 -18.92 63.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.565 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -65.35 -55.98 15.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -32.41 71.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 109.862 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.421 ' CZ3' HD23 ' A' ' 669' ' ' LEU . 18.7 m95 -85.43 -17.0 37.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 110.363 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.05 80.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.23 -0.919 . . . . 0.0 111.129 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 89.7 p -65.57 -15.19 62.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 0.0 110.259 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.421 HD23 ' CZ3' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -81.22 -43.93 18.53 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.16 -0.963 . . . . 0.0 109.853 179.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -35.22 72.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.409 ' O ' HG13 ' A' ' 675' ' ' ILE . . . -72.23 -28.27 63.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.524 ' O ' HG13 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -60.29 -51.81 67.96 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.491 -177.576 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -49.85 -46.99 51.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.859 -1.15 . . . . 0.0 110.863 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.63 11.56 0.62 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.166 -0.959 . . . . 0.0 112.392 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 672' ' ' TRP . 4.4 mt -88.29 62.35 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.744 -1.223 . . . . 0.0 109.803 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.673 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.5 OUTLIER -83.72 33.68 0.48 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.92 0.867 . . . . 0.0 110.194 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -91.12 -11.92 37.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.633 -1.292 . . . . 0.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.494 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 50.1 p-90 -88.68 -7.66 55.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.226 -0.921 . . . . 0.0 110.802 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.494 ' HG ' ' CZ3' ' A' ' 678' ' ' TRP . 0.9 OUTLIER -70.76 -28.67 64.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.673 -0.642 . . . . 0.0 111.314 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -63.14 -24.32 67.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.286 -0.884 . . . . 0.0 110.504 -179.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.86 -27.93 68.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.982 -1.074 . . . . 0.0 108.919 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.1 mt -102.32 92.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.346 -0.846 . . . . 0.0 109.658 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? . . . . . 0 C--N 1.294 -1.829 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.184 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.168 0.508 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -123.82 -164.2 1.21 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 110.195 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -96.99 -148.87 0.32 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.425 -0.797 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.48 15.41 28.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.312 -0.867 . . . . 0.0 110.522 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.03 -10.89 20.1 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.797 0.808 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -97.88 148.84 23.02 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.154 0.502 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.9 mt -64.71 -16.12 62.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -60.53 2.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.267 -0.895 . . . . 0.0 110.124 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -32.14 70.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.399 -0.813 . . . . 0.0 110.108 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -85.07 -17.07 38.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.488 -0.757 . . . . 0.0 110.611 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.37 80.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 111.479 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 50.0 p -65.66 -16.92 64.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.963 . . . . 0.0 110.174 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -79.79 -43.39 22.56 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.167 -0.958 . . . . 0.0 109.8 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -34.92 71.63 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.73 63.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.555 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.5 OUTLIER -62.41 -53.83 49.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.934 -0.479 . . . . 0.0 110.856 -178.139 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -52.61 -46.35 66.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.613 -1.305 . . . . 0.0 110.148 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.54 14.11 0.29 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 112.623 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 672' ' ' TRP . 2.5 mm -71.43 61.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.591 -1.318 . . . . 0.0 109.794 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 679' ' ' LEU . 1.8 t -87.26 33.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 110.494 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -85.48 -15.11 43.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 110.09 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.475 ' CE2' ' CD1' ' A' ' 679' ' ' LEU . 70.1 p-90 -95.5 -20.91 18.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.41 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.475 ' CD1' ' CE2' ' A' ' 678' ' ' TRP . 0.7 OUTLIER -72.16 -29.76 64.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.758 -0.589 . . . . 0.0 110.798 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.423 ' CH2' ' HE3' ' A' ' 683' ' ' LYS . 0.1 OUTLIER -61.51 -23.83 66.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.45 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.2 -25.09 61.19 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.035 -1.04 . . . . 0.0 109.034 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.63 92.45 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . 0.423 ' HE3' ' CH2' ' A' ' 680' ' ' TRP . 8.0 tttt . . . . . 0 C--N 1.296 -1.742 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.211 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.214 0.531 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.04 -166.15 1.66 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 0.0 110.209 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.17 92.48 0.18 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.294 -0.879 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.59 15.33 14.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.36 -11.33 21.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -78.74 153.48 30.8 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.18 0.514 . . . . 0.0 110.248 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.09 -14.83 62.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.372 -0.83 . . . . 0.0 110.666 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.53 -58.97 4.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 0.0 110.223 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -60.86 -32.67 72.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.418 ' CZ3' HD21 ' A' ' 669' ' ' LEU . 16.5 m95 -85.21 -16.82 39.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 110.627 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.33 81.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -14.76 61.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.188 -0.945 . . . . 0.0 110.497 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -82.64 -43.82 16.5 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.122 -0.986 . . . . 0.0 109.888 179.246 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -35.07 71.57 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 675' ' ' ILE . . . -72.02 -28.64 63.51 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.724 ' O ' HG12 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -60.66 -54.79 41.03 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -178.137 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 672' ' ' TRP . 2.5 m-85 -44.22 -47.66 9.3 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.487 -1.383 . . . . 0.0 110.706 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -81.48 13.96 2.75 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.724 HG12 ' O ' ' A' ' 672' ' ' TRP . 1.1 pt -79.33 71.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.298 -1.501 . . . . 0.0 110.652 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 676' ' ' THR . 1.5 t -87.62 32.94 0.71 Allowed 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.598 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -85.96 -15.88 40.15 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.977 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.477 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 68.9 p-90 -95.7 -20.83 18.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.477 ' HG ' ' CZ3' ' A' ' 678' ' ' TRP . 0.7 OUTLIER -71.63 -29.35 64.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.757 -0.589 . . . . 0.0 111.021 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -62.17 -23.0 66.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.251 -0.905 . . . . 0.0 110.336 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.83 -25.27 60.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.994 -1.066 . . . . 0.0 108.923 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.7 92.35 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.432 -0.792 . . . . 0.0 109.639 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt . . . . . 0 C--N 1.296 -1.741 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.165 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.173 0.511 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -108.17 143.34 37.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.371 -0.831 . . . . 0.0 110.102 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . 0.418 ' CG ' ' CD2' ' A' ' 661' ' ' LEU . 0.2 OUTLIER -96.92 -145.17 0.29 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 110.22 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 666' ' ' TRP . 14.7 mt -92.48 16.24 12.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.994 -1.066 . . . . 0.0 111.477 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.418 ' CD2' ' CG ' ' A' ' 659' ' ' GLU . 3.1 pp -86.03 7.41 24.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.114 -0.991 . . . . 0.0 111.252 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -103.84 155.84 18.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.497 -0.752 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.3 -68.27 0.31 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.32 -0.863 . . . . 0.0 110.487 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -50.08 -33.12 17.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.595 -0.691 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -35.72 74.17 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.883 . . . . 0.0 109.764 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.416 ' CD1' ' O ' ' A' ' 660' ' ' LEU . 16.9 m95 -85.13 -18.47 34.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.935 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.96 84.1 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 48.3 p -64.81 -19.38 65.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -0.943 . . . . 0.0 110.049 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -75.62 -42.78 50.82 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.143 -0.973 . . . . 0.0 109.766 179.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -59.04 -34.87 72.42 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.39 -28.88 63.27 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.756 0.789 . . . . 0.0 109.082 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.493 ' O ' HG13 ' A' ' 675' ' ' ILE . 0.2 OUTLIER -59.06 -51.57 69.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.893 -0.505 . . . . 0.0 111.738 -177.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -48.54 -47.41 39.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.829 -1.169 . . . . 0.0 111.179 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.72 10.89 0.74 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.057 -1.027 . . . . 0.0 112.265 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 677' ' ' ASN . 4.4 mt -88.96 64.95 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.849 -1.157 . . . . 0.0 109.796 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.446 ' CG2' ' CD1' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -70.43 34.67 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.457 -0.777 . . . . 0.0 111.028 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 675' ' ' ILE . 15.1 m120 -95.61 -6.55 39.97 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.319 -0.863 . . . . 0.0 109.737 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.505 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 49.3 p-90 -93.35 -9.56 38.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 111.056 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.505 ' HG ' ' CZ3' ' A' ' 678' ' ' TRP . 0.6 OUTLIER -72.18 -29.48 64.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.733 -0.604 . . . . 0.0 110.932 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -25.48 68.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.808 . . . . 0.0 110.316 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -63.58 -27.19 69.08 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.049 -1.032 . . . . 0.0 108.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.93 91.41 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp . . . . . 0 C--N 1.294 -1.841 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.22 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.248 0.547 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -143.08 -168.59 2.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.301 -0.874 . . . . 0.0 110.189 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.99 92.72 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.859 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 14.0 mt -91.22 15.3 12.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.672 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.3 mt -102.37 -9.71 20.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.409 -0.807 . . . . 0.0 110.192 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.12 158.3 19.2 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.87 -0.519 . . . . 0.0 110.156 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.28 -15.87 62.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.413 -0.804 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -59.17 4.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.283 -0.886 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -60.2 -31.62 70.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -85.65 -16.98 37.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.371 -0.83 . . . . 0.0 110.421 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.73 82.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.409 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 12.8 p -65.33 -17.15 64.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 110.17 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -79.18 -43.22 24.35 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.107 -0.996 . . . . 0.0 109.845 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -34.97 71.67 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.538 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.6 OUTLIER -62.08 -53.78 50.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.956 -0.465 . . . . 0.0 110.916 -178.107 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -52.03 -46.44 65.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.701 -1.249 . . . . 0.0 110.362 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -70.89 13.22 0.21 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.408 -0.807 . . . . 0.0 112.626 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.538 ' CG1' ' O ' ' A' ' 672' ' ' TRP . 2.6 mm -74.46 60.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.673 -1.267 . . . . 0.0 109.658 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.671 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.6 OUTLIER -87.21 33.54 0.68 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.908 0.861 . . . . 0.0 109.961 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -83.24 -20.08 35.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.74 -1.225 . . . . 0.0 110.267 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.472 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 63.4 p-90 -76.56 -12.55 60.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.372 -0.83 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.472 ' HG ' ' CZ3' ' A' ' 678' ' ' TRP . 0.8 OUTLIER -73.33 -29.27 62.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.008 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -23.67 66.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.526 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -57.58 -24.46 56.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.077 -1.014 . . . . 0.0 108.92 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.13 92.32 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.375 -0.828 . . . . 0.0 109.651 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt . . . . . 0 C--N 1.295 -1.777 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.214 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.162 0.505 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -117.53 130.76 56.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.466 -0.771 . . . . 0.0 110.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -96.98 -149.63 0.33 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.863 . . . . 0.0 109.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.28 15.0 22.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.529 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.08 -4.65 24.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.796 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.17 138.82 58.67 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.228 0.537 . . . . 0.0 110.317 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 667' ' ' ALA . 4.7 mt -71.09 -17.76 62.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.468 -0.77 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -53.88 -35.89 62.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.143 -0.973 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 666' ' ' TRP . 3.4 ptmt -93.49 -30.67 14.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.415 ' N ' ' HG2' ' A' ' 665' ' ' LYS . 18.4 m95 -87.26 -16.71 34.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 110.974 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 663' ' ' LEU . . . -66.96 -36.03 81.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 110.787 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 14.8 p -67.67 -14.62 63.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.363 -0.836 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.63 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -85.65 -45.04 12.07 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.209 -0.932 . . . . 0.0 109.838 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -54.81 -32.73 60.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.466 ' O ' HG12 ' A' ' 675' ' ' ILE . . . -74.03 -22.05 59.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.594 -0.691 . . . . 0.0 110.12 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.63 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.4 t-105 -57.37 -53.13 61.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.648 -0.657 . . . . 0.0 112.301 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -55.35 -45.51 76.46 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.006 -1.059 . . . . 0.0 111.553 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.83 13.44 0.51 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.01 -1.056 . . . . 0.0 112.669 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 672' ' ' TRP . 4.0 mm -75.8 59.77 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.659 -1.275 . . . . 0.0 110.058 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.664 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.6 OUTLIER -86.96 33.78 0.67 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.935 0.874 . . . . 0.0 110.014 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.528 ' HA ' ' CZ2' ' A' ' 680' ' ' TRP . 44.0 p-10 -88.96 -13.95 37.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.561 -1.337 . . . . 0.0 110.727 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.507 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 47.1 p-90 -87.34 -6.72 58.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.25 -0.907 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.507 ' HG ' ' CZ3' ' A' ' 678' ' ' TRP . 0.8 OUTLIER -68.88 -31.23 70.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.749 -0.594 . . . . 0.0 112.258 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.528 ' CZ2' ' HA ' ' A' ' 677' ' ' ASN . 1.3 m0 -62.31 -22.54 66.13 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.871 -1.143 . . . . 0.0 110.044 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -57.13 -24.94 57.71 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.047 -1.033 . . . . 0.0 108.725 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.37 92.27 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.6 pttt . . . . . 0 C--N 1.296 -1.738 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.278 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.165 0.507 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.04 -160.19 0.42 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 110.15 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.87 92.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.27 -0.894 . . . . 0.0 110.034 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.31 15.44 12.04 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.554 -0.716 . . . . 0.0 110.617 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.4 mt -101.4 -9.03 21.49 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.789 0.804 . . . . 0.0 110.245 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -81.41 144.83 31.14 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.778 -0.576 . . . . 0.0 110.32 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.6 -16.89 62.12 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.405 -0.81 . . . . 0.0 110.541 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.21 -59.29 3.56 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.273 -0.892 . . . . 0.0 110.041 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -29.67 70.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 109.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -86.34 -17.31 34.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.93 83.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.264 -0.898 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -19.34 65.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.95 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.6 OUTLIER -77.12 -42.89 36.17 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.224 -0.922 . . . . 0.0 109.738 179.178 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -58.89 -35.05 72.38 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.16 63.21 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.758 0.79 . . . . 0.0 108.879 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.578 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.3 OUTLIER -62.99 -52.3 63.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.803 -0.561 . . . . 0.0 111.195 -177.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' A' ' 675' ' ' ILE . 2.7 m-85 -46.82 -47.37 21.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.517 -1.364 . . . . 0.0 110.157 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -67.39 12.98 0.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.424 -0.797 . . . . 0.0 112.426 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 672' ' ' TRP . 1.7 mm -76.61 59.92 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.619 -1.301 . . . . 0.0 109.435 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.429 ' CG2' ' CD1' ' A' ' 679' ' ' LEU . 0.1 OUTLIER -87.21 35.24 0.7 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.228 -0.92 . . . . 0.0 110.668 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.42 -6.08 53.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.389 -0.82 . . . . 0.0 109.867 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.473 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 53.4 p-90 -94.72 -8.33 38.02 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.205 -0.934 . . . . 0.0 110.951 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.473 ' HG ' ' CZ3' ' A' ' 678' ' ' TRP . 0.7 OUTLIER -74.41 -30.02 61.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.713 -0.617 . . . . 0.0 111.187 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -25.22 67.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.298 -0.876 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.26 -26.37 68.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.104 -0.997 . . . . 0.0 108.885 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.49 91.84 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.39 -0.819 . . . . 0.0 109.704 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.218 0.532 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 26.54 10.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -97.23 102.33 14.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.368 -0.832 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 6.2 mt -89.17 15.13 9.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.489 -0.757 . . . . 0.0 110.77 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.1 mt -102.86 -9.66 19.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 0.0 110.231 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.93 156.5 16.31 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.257 0.551 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.04 -14.45 62.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.89 -60.16 3.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.22 -32.96 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -83.82 -18.62 37.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.54 83.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 111.028 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 58.3 p -67.94 -14.93 63.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.125 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.619 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.15 -45.16 11.62 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 121.191 -0.943 . . . . 0.0 109.804 179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -54.6 -32.51 58.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 0.0 108.801 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 675' ' ' ILE . . . -74.15 -21.48 59.84 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.599 -0.688 . . . . 0.0 110.2 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.619 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.2 t-105 -57.44 -52.73 64.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.615 -0.678 . . . . 0.0 112.221 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -55.7 -45.62 77.8 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.91 -1.119 . . . . 0.0 111.429 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -74.7 13.57 0.61 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.969 -1.082 . . . . 0.0 112.544 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 672' ' ' TRP . 4.3 mm -72.88 64.47 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.75 -1.219 . . . . 0.0 110.127 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 679' ' ' LEU . 0.8 OUTLIER -85.4 34.54 0.58 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.588 -0.695 . . . . 0.0 110.193 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 3.0 m120 -85.75 -6.47 59.11 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.587 -0.696 . . . . 0.0 109.3 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.487 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 54.7 p-90 -94.0 -8.41 40.0 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.428 -0.795 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.487 ' HG ' ' CZ3' ' A' ' 678' ' ' TRP . 0.7 OUTLIER -72.19 -28.33 63.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.693 -0.629 . . . . 0.0 111.242 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.45 ' CD1' ' N ' ' A' ' 681' ' ' TYR . 0.9 OUTLIER -62.74 -20.62 65.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.228 -0.92 . . . . 0.0 110.565 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.45 ' N ' ' CD1' ' A' ' 680' ' ' TRP . 22.6 t80 -57.46 -24.04 53.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.911 -1.118 . . . . 0.0 108.733 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.32 92.16 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.493 -0.755 . . . . 0.0 109.508 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.296 -1.757 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.217 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.258 0.552 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -106.14 -162.36 0.86 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.118 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.96 -149.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.839 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.1 15.48 17.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 661' ' ' LEU . 0.2 OUTLIER -96.97 4.36 51.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.345 -0.847 . . . . 0.0 110.563 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.4 141.35 31.79 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.575 -0.703 . . . . 0.0 110.208 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.36 -19.03 61.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.297 -0.877 . . . . 0.0 110.537 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.54 -55.75 16.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.351 -0.843 . . . . 0.0 110.111 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -61.75 -34.37 75.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.382 -0.824 . . . . 0.0 110.073 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -84.7 -16.01 43.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 0.0 110.78 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.82 77.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.052 -1.03 . . . . 0.0 111.286 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 42.8 p -65.88 -14.88 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 110.07 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.469 ' N ' HD22 ' A' ' 669' ' ' LEU . 0.2 OUTLIER -79.24 -43.65 23.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.124 -0.985 . . . . 0.0 109.321 179.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.02 75.55 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.471 ' O ' HG21 ' A' ' 675' ' ' ILE . . . -69.85 -31.5 69.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.218 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.664 ' HA ' ' CG2' ' A' ' 675' ' ' ILE . 2.1 t90 -67.28 -49.37 64.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.943 -0.473 . . . . 0.0 110.917 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -52.88 -47.79 67.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.167 -1.583 . . . . 0.0 109.529 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 676' ' ' THR . . . -84.58 26.38 0.81 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.645 -0.659 . . . . 0.0 112.477 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.664 ' CG2' ' HA ' ' A' ' 672' ' ' TRP . 34.5 pt -65.3 71.74 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 111.277 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 674' ' ' ALA . 0.0 OUTLIER -87.3 34.26 0.69 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.652 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -77.36 -23.11 50.89 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.752 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.468 ' CE3' ' HG ' ' A' ' 679' ' ' LEU . 1.3 p-90 -98.38 -31.02 12.24 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.23 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.468 ' HG ' ' CE3' ' A' ' 678' ' ' TRP . 0.5 OUTLIER -65.48 -29.37 70.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.806 -0.559 . . . . 0.0 110.874 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -22.64 66.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.488 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.36 -25.32 61.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.945 -1.097 . . . . 0.0 109.015 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.83 92.35 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.458 -0.776 . . . . 0.0 109.675 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt . . . . . 0 C--N 1.296 -1.747 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.225 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.12 0.486 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -32.26 69.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.315 -0.866 . . . . 0.0 110.047 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.575 ' HA ' HD13 ' A' ' 669' ' ' LEU . 17.5 m95 -86.82 -16.87 34.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.401 -0.812 . . . . 0.0 110.546 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.95 83.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.138 -0.976 . . . . 0.0 111.3 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 88.5 p -65.04 -19.28 65.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 110.083 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -76.42 -43.04 42.07 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.233 -0.917 . . . . 0.0 109.946 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.69 -34.81 71.7 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.32 -27.69 62.6 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.723 0.773 . . . . 0.0 109.128 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.783 -0.573 . . . . 0.0 111.382 -177.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -32.41 71.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 109.862 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.59 ' HA ' HD13 ' A' ' 669' ' ' LEU . 18.7 m95 -85.43 -17.0 37.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 110.363 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.05 80.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.23 -0.919 . . . . 0.0 111.129 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 89.7 p -65.57 -15.19 62.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 0.0 110.259 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -81.22 -43.93 18.53 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.16 -0.963 . . . . 0.0 109.853 179.279 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -35.22 72.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.23 -28.27 63.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.441 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.491 -177.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -32.14 70.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.399 -0.813 . . . . 0.0 110.108 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.518 ' HA ' HD13 ' A' ' 669' ' ' LEU . 18.9 m95 -85.07 -17.07 38.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.488 -0.757 . . . . 0.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.37 80.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 111.479 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 50.0 p -65.66 -16.92 64.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.963 . . . . 0.0 110.174 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -79.79 -43.39 22.56 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.167 -0.958 . . . . 0.0 109.8 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -34.92 71.63 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.73 63.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.489 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.934 -0.479 . . . . 0.0 110.856 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.153 0.501 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -60.86 -32.67 72.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.6 ' CZ3' HD22 ' A' ' 669' ' ' LEU . 16.5 m95 -85.21 -16.82 39.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 110.627 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.33 81.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -14.76 61.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.188 -0.945 . . . . 0.0 110.497 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.6 HD22 ' CZ3' ' A' ' 666' ' ' TRP . 0.8 OUTLIER -82.64 -43.82 16.5 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.122 -0.986 . . . . 0.0 109.888 179.246 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -35.07 71.57 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.64 63.51 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.134 0.492 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -35.72 74.17 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.883 . . . . 0.0 109.764 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.533 ' HA ' HD13 ' A' ' 669' ' ' LEU . 16.9 m95 -85.13 -18.47 34.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.935 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.96 84.1 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 48.3 p -64.81 -19.38 65.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -0.943 . . . . 0.0 110.049 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -75.62 -42.78 50.82 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.143 -0.973 . . . . 0.0 109.766 179.275 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -59.04 -34.87 72.42 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.39 -28.88 63.27 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.756 0.789 . . . . 0.0 109.082 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.478 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.893 -0.505 . . . . 0.0 111.738 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.169 0.509 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -60.2 -31.62 70.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.549 ' HA ' HD13 ' A' ' 669' ' ' LEU . 17.6 m95 -85.65 -16.98 37.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.371 -0.83 . . . . 0.0 110.421 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.73 82.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.409 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 12.8 p -65.33 -17.15 64.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 110.17 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -79.18 -43.22 24.35 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.107 -0.996 . . . . 0.0 109.845 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -34.97 71.67 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.501 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.956 -0.465 . . . . 0.0 110.916 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.151 0.5 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 666' ' ' TRP . 3.4 ptmt -93.49 -30.67 14.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.421 ' N ' ' HG2' ' A' ' 665' ' ' LYS . 18.4 m95 -87.26 -16.71 34.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 110.974 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.03 81.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 110.787 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 14.8 p -67.67 -14.62 63.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.363 -0.836 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -85.65 -45.04 12.07 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.209 -0.932 . . . . 0.0 109.838 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -54.81 -32.73 60.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -74.03 -22.05 59.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.594 -0.691 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.653 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.4 t-105 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.648 -0.657 . . . . 0.0 112.301 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.101 0.477 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -29.67 70.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 109.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 669' ' ' LEU . 16.7 m95 -86.34 -17.31 34.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.332 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.93 83.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.264 -0.898 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -19.34 65.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.95 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 666' ' ' TRP . 0.6 OUTLIER -77.12 -42.89 36.17 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.224 -0.922 . . . . 0.0 109.738 179.178 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -58.89 -35.05 72.38 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.16 63.21 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.758 0.79 . . . . 0.0 108.879 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.451 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.803 -0.561 . . . . 0.0 111.195 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.22 -32.96 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -83.82 -18.62 37.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.54 83.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 111.028 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 58.3 p -67.94 -14.93 63.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.125 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.15 -45.16 11.62 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 121.191 -0.943 . . . . 0.0 109.804 179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -54.6 -32.51 58.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 0.0 108.801 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -74.15 -21.48 59.84 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.599 -0.688 . . . . 0.0 110.2 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.641 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.2 t-105 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.615 -0.678 . . . . 0.0 112.221 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.22 0.533 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -61.75 -34.37 75.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.382 -0.824 . . . . 0.0 110.073 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 669' ' ' LEU . 14.7 m95 -84.7 -16.01 43.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 0.0 110.78 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.82 77.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.052 -1.03 . . . . 0.0 111.286 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 42.8 p -65.88 -14.88 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 110.07 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -79.24 -43.65 23.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.124 -0.985 . . . . 0.0 109.321 179.029 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.02 75.55 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -69.85 -31.5 69.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.218 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.943 -0.473 . . . . 0.0 110.917 -178.704 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.153 0.501 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -151.73 122.5 7.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.14 -147.95 0.31 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.398 -0.814 . . . . 0.0 110.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.6 mt -92.85 15.57 14.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.288 -0.883 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.69 -13.31 27.67 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.385 -0.822 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.04 143.99 33.58 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-O 121.127 0.489 . . . . 0.0 110.246 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.28 -34.05 66.08 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.345 -0.847 . . . . 0.0 110.593 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.73 -53.21 60.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.59 -0.694 . . . . 0.0 110.231 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -32.26 69.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.315 -0.866 . . . . 0.0 110.047 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.575 ' HA ' HD13 ' A' ' 669' ' ' LEU . 17.5 m95 -86.82 -16.87 34.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.401 -0.812 . . . . 0.0 110.546 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.95 83.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.138 -0.976 . . . . 0.0 111.3 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 88.5 p -65.04 -19.28 65.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 110.083 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -76.42 -43.04 42.07 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.233 -0.917 . . . . 0.0 109.946 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.69 -34.81 71.7 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.32 -27.69 62.6 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.723 0.773 . . . . 0.0 109.128 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.605 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.4 OUTLIER -62.03 -52.02 65.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.783 -0.573 . . . . 0.0 111.382 -177.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 672' ' ' TRP . 4.3 m-85 -45.75 -47.66 15.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.558 -1.339 . . . . 0.0 110.293 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -70.26 13.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.447 -0.783 . . . . 0.0 112.498 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 675' ' ' ILE . 1.8 mm -72.74 61.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.651 -1.281 . . . . 0.0 109.797 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.871 HG22 ' CD1' ' A' ' 679' ' ' LEU . 0.1 OUTLIER -87.16 35.03 0.69 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.249 -0.907 . . . . 0.0 110.449 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -91.07 -6.16 54.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.406 -0.809 . . . . 0.0 109.756 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.513 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 50.8 p-90 -94.2 -8.0 40.59 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.237 -0.915 . . . . 0.0 110.921 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.871 ' CD1' HG22 ' A' ' 676' ' ' THR . 0.7 OUTLIER -71.5 -29.53 64.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.705 -0.622 . . . . 0.0 111.168 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -24.32 67.46 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.295 -0.878 . . . . 0.0 110.333 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.14 -25.18 65.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.078 -1.014 . . . . 0.0 108.764 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 682' ' ' ILE . 1.0 OUTLIER -102.59 91.59 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.34 -0.85 . . . . 0.0 109.636 179.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.294 -1.811 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.199 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.219 0.533 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -124.91 118.5 26.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.138 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -96.94 101.14 12.66 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 110.032 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 10.8 mt -92.12 15.35 13.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.553 -0.717 . . . . 0.0 110.608 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.2 mt -101.88 -9.41 20.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.393 -0.817 . . . . 0.0 110.2 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -92.4 158.81 15.86 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 121.233 0.539 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 17.6 mt -70.16 -18.92 63.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.565 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -65.35 -55.98 15.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -32.41 71.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 109.862 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.59 ' HA ' HD13 ' A' ' 669' ' ' LEU . 18.7 m95 -85.43 -17.0 37.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 110.363 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -67.18 -36.05 80.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.23 -0.919 . . . . 0.0 111.129 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 89.7 p -65.57 -15.19 62.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 0.0 110.259 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -81.22 -43.93 18.53 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.16 -0.963 . . . . 0.0 109.853 179.279 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -35.22 72.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 675' ' ' ILE . . . -72.23 -28.27 63.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.521 ' O ' HG13 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -60.29 -51.81 67.96 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.491 -177.576 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -49.85 -46.99 51.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.859 -1.15 . . . . 0.0 110.863 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.63 11.56 0.62 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.166 -0.959 . . . . 0.0 112.392 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 675' ' ' ILE . 4.4 mt -88.29 62.35 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.744 -1.223 . . . . 0.0 109.803 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.673 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.5 OUTLIER -83.72 33.68 0.48 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.92 0.867 . . . . 0.0 110.194 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -91.12 -11.92 37.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.633 -1.292 . . . . 0.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.509 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 50.1 p-90 -88.68 -7.66 55.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.226 -0.921 . . . . 0.0 110.802 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.9 OUTLIER -70.76 -28.67 64.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.673 -0.642 . . . . 0.0 111.314 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -63.14 -24.32 67.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.286 -0.884 . . . . 0.0 110.504 -179.724 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.86 -27.93 68.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.982 -1.074 . . . . 0.0 108.919 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.1 mt -102.32 92.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.346 -0.846 . . . . 0.0 109.658 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? . . . . . 0 C--N 1.294 -1.829 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.184 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.168 0.508 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -123.82 -164.2 1.21 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 110.195 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -96.99 -148.87 0.32 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.425 -0.797 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.48 15.41 28.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.312 -0.867 . . . . 0.0 110.522 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.03 -10.89 20.1 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.797 0.808 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -97.88 148.84 23.02 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.154 0.502 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 2.9 mt -64.71 -16.12 62.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.598 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -60.53 2.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.267 -0.895 . . . . 0.0 110.124 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -32.14 70.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.399 -0.813 . . . . 0.0 110.108 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.518 ' HA ' HD13 ' A' ' 669' ' ' LEU . 18.9 m95 -85.07 -17.07 38.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.488 -0.757 . . . . 0.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -67.54 -36.37 80.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 111.479 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 50.0 p -65.66 -16.92 64.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.963 . . . . 0.0 110.174 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -79.79 -43.39 22.56 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.167 -0.958 . . . . 0.0 109.8 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -34.92 71.63 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.73 63.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.555 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.5 OUTLIER -62.41 -53.83 49.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.934 -0.479 . . . . 0.0 110.856 -178.139 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -52.61 -46.35 66.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.613 -1.305 . . . . 0.0 110.148 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.54 14.11 0.29 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 112.623 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 675' ' ' ILE . 2.5 mm -71.43 61.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.591 -1.318 . . . . 0.0 109.794 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 676' ' ' THR . 1.8 t -87.26 33.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 110.494 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -85.48 -15.11 43.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 110.09 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.637 ' CZ2' HD11 ' A' ' 679' ' ' LEU . 70.1 p-90 -95.5 -20.91 18.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.41 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.7 OUTLIER -72.16 -29.76 64.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.758 -0.589 . . . . 0.0 110.798 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.441 ' CH2' ' HE3' ' A' ' 683' ' ' LYS . 0.1 OUTLIER -61.51 -23.83 66.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.45 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.2 -25.09 61.19 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.035 -1.04 . . . . 0.0 109.034 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.63 92.45 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.441 ' HE3' ' CH2' ' A' ' 680' ' ' TRP . 8.0 tttt . . . . . 0 C--N 1.296 -1.742 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.211 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.214 0.531 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.04 -166.15 1.66 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 0.0 110.209 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.17 92.48 0.18 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.294 -0.879 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.59 15.33 14.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.36 -11.33 21.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -78.74 153.48 30.8 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.18 0.514 . . . . 0.0 110.248 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 2.8 mt -66.09 -14.83 62.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.372 -0.83 . . . . 0.0 110.666 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.53 -58.97 4.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 0.0 110.223 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -60.86 -32.67 72.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.6 ' CZ3' HD22 ' A' ' 669' ' ' LEU . 16.5 m95 -85.21 -16.82 39.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 110.627 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -67.18 -36.33 81.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -178.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -14.76 61.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.188 -0.945 . . . . 0.0 110.497 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.6 HD22 ' CZ3' ' A' ' 666' ' ' TRP . 0.8 OUTLIER -82.64 -43.82 16.5 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.122 -0.986 . . . . 0.0 109.888 179.246 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -35.07 71.57 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 675' ' ' ILE . . . -72.02 -28.64 63.51 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.751 ' O ' HG12 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -60.66 -54.79 41.03 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -178.137 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 672' ' ' TRP . 2.5 m-85 -44.22 -47.66 9.3 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.487 -1.383 . . . . 0.0 110.706 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -81.48 13.96 2.75 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.751 HG12 ' O ' ' A' ' 672' ' ' TRP . 1.1 pt -79.33 71.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.298 -1.501 . . . . 0.0 110.652 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 679' ' ' LEU . 1.5 t -87.62 32.94 0.71 Allowed 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.598 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -85.96 -15.88 40.15 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.977 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.606 ' CZ2' HD11 ' A' ' 679' ' ' LEU . 68.9 p-90 -95.7 -20.83 18.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.7 OUTLIER -71.63 -29.35 64.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.757 -0.589 . . . . 0.0 111.021 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -62.17 -23.0 66.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.251 -0.905 . . . . 0.0 110.336 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.83 -25.27 60.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.994 -1.066 . . . . 0.0 108.923 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.7 92.35 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.432 -0.792 . . . . 0.0 109.639 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt . . . . . 0 C--N 1.296 -1.741 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.165 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.173 0.511 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -108.17 143.34 37.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.371 -0.831 . . . . 0.0 110.102 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' GLU . . . . . 0.911 ' CG ' HD23 ' A' ' 661' ' ' LEU . 0.2 OUTLIER -96.92 -145.17 0.29 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 110.22 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 666' ' ' TRP . 14.7 mt -92.48 16.24 12.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.994 -1.066 . . . . 0.0 111.477 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.911 HD23 ' CG ' ' A' ' 659' ' ' GLU . 3.1 pp -86.03 7.41 24.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.114 -0.991 . . . . 0.0 111.252 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -103.84 155.84 18.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.497 -0.752 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.3 -68.27 0.31 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.32 -0.863 . . . . 0.0 110.487 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -50.08 -33.12 17.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.595 -0.691 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -35.72 74.17 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.883 . . . . 0.0 109.764 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.533 ' HA ' HD13 ' A' ' 669' ' ' LEU . 16.9 m95 -85.13 -18.47 34.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.935 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.96 84.1 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 48.3 p -64.81 -19.38 65.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -0.943 . . . . 0.0 110.049 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -75.62 -42.78 50.82 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.143 -0.973 . . . . 0.0 109.766 179.275 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -59.04 -34.87 72.42 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 675' ' ' ILE . . . -72.39 -28.88 63.27 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.756 0.789 . . . . 0.0 109.082 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.492 ' O ' HG13 ' A' ' 675' ' ' ILE . 0.2 OUTLIER -59.06 -51.57 69.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.893 -0.505 . . . . 0.0 111.738 -177.374 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -48.54 -47.41 39.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.829 -1.169 . . . . 0.0 111.179 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.72 10.89 0.74 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.057 -1.027 . . . . 0.0 112.265 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 675' ' ' ILE . 4.4 mt -88.96 64.95 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.849 -1.157 . . . . 0.0 109.796 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.957 HG22 HD13 ' A' ' 679' ' ' LEU . 0.0 OUTLIER -70.43 34.67 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.457 -0.777 . . . . 0.0 111.028 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 675' ' ' ILE . 15.1 m120 -95.61 -6.55 39.97 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.319 -0.863 . . . . 0.0 109.737 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.518 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 49.3 p-90 -93.35 -9.56 38.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 111.056 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.957 HD13 HG22 ' A' ' 676' ' ' THR . 0.6 OUTLIER -72.18 -29.48 64.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.733 -0.604 . . . . 0.0 110.932 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -25.48 68.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.808 . . . . 0.0 110.316 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -63.58 -27.19 69.08 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.049 -1.032 . . . . 0.0 108.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 682' ' ' ILE . 1.1 mt -101.93 91.41 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp . . . . . 0 C--N 1.294 -1.841 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.22 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.248 0.547 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -143.08 -168.59 2.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.301 -0.874 . . . . 0.0 110.189 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.99 92.72 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.859 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' A' ' 665' ' ' LYS . 14.0 mt -91.22 15.3 12.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.672 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.3 mt -102.37 -9.71 20.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.409 -0.807 . . . . 0.0 110.192 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.12 158.3 19.2 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.87 -0.519 . . . . 0.0 110.156 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 1.2 mt -70.28 -15.87 62.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.413 -0.804 . . . . 0.0 110.586 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -59.17 4.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.283 -0.886 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.544 ' HB3' HD23 ' A' ' 660' ' ' LEU . 1.4 mtpt -60.2 -31.62 70.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.549 ' HA ' HD13 ' A' ' 669' ' ' LEU . 17.6 m95 -85.65 -16.98 37.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.371 -0.83 . . . . 0.0 110.421 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -67.31 -36.73 82.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.409 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 12.8 p -65.33 -17.15 64.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 110.17 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -79.18 -43.22 24.35 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.107 -0.996 . . . . 0.0 109.845 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -34.97 71.67 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.538 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.6 OUTLIER -62.08 -53.78 50.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.956 -0.465 . . . . 0.0 110.916 -178.107 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -52.03 -46.44 65.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.701 -1.249 . . . . 0.0 110.362 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -70.89 13.22 0.21 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.408 -0.807 . . . . 0.0 112.626 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 675' ' ' ILE . 2.6 mm -74.46 60.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.673 -1.267 . . . . 0.0 109.658 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.671 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.6 OUTLIER -87.21 33.54 0.68 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.908 0.861 . . . . 0.0 109.961 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -83.24 -20.08 35.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.74 -1.225 . . . . 0.0 110.267 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.484 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 63.4 p-90 -76.56 -12.55 60.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.372 -0.83 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.8 OUTLIER -73.33 -29.27 62.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.008 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -23.67 66.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.526 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -57.58 -24.46 56.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.077 -1.014 . . . . 0.0 108.92 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.13 92.32 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.375 -0.828 . . . . 0.0 109.651 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt . . . . . 0 C--N 1.295 -1.777 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.214 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.162 0.505 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -117.53 130.76 56.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.466 -0.771 . . . . 0.0 110.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -96.98 -149.63 0.33 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.863 . . . . 0.0 109.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.732 HD23 ' NZ ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -96.28 15.0 22.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.529 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.08 -4.65 24.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.796 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.17 138.82 58.67 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.228 0.537 . . . . 0.0 110.317 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 4.7 mt -71.09 -17.76 62.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.468 -0.77 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -53.88 -35.89 62.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.143 -0.973 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.732 ' NZ ' HD23 ' A' ' 660' ' ' LEU . 3.4 ptmt -93.49 -30.67 14.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.421 ' N ' ' HG2' ' A' ' 665' ' ' LYS . 18.4 m95 -87.26 -16.71 34.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 110.974 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -66.96 -36.03 81.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 110.787 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 14.8 p -67.67 -14.62 63.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.363 -0.836 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -85.65 -45.04 12.07 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.209 -0.932 . . . . 0.0 109.838 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -54.81 -32.73 60.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.485 ' O ' HG12 ' A' ' 675' ' ' ILE . . . -74.03 -22.05 59.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.594 -0.691 . . . . 0.0 110.12 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.653 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.4 t-105 -57.37 -53.13 61.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.648 -0.657 . . . . 0.0 112.301 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -55.35 -45.51 76.46 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.006 -1.059 . . . . 0.0 111.553 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.83 13.44 0.51 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.01 -1.056 . . . . 0.0 112.669 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 675' ' ' ILE . 4.0 mm -75.8 59.77 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.659 -1.275 . . . . 0.0 110.058 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.664 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.6 OUTLIER -86.96 33.78 0.67 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.935 0.874 . . . . 0.0 110.014 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.548 ' HA ' ' CZ2' ' A' ' 680' ' ' TRP . 44.0 p-10 -88.96 -13.95 37.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.561 -1.337 . . . . 0.0 110.727 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.518 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 47.1 p-90 -87.34 -6.72 58.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.25 -0.907 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.8 OUTLIER -68.88 -31.23 70.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.749 -0.594 . . . . 0.0 112.258 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.548 ' CZ2' ' HA ' ' A' ' 677' ' ' ASN . 1.3 m0 -62.31 -22.54 66.13 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.871 -1.143 . . . . 0.0 110.044 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -57.13 -24.94 57.71 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.047 -1.033 . . . . 0.0 108.725 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.37 92.27 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.6 pttt . . . . . 0 C--N 1.296 -1.738 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.278 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.165 0.507 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.04 -160.19 0.42 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 110.15 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.87 92.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.27 -0.894 . . . . 0.0 110.034 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.31 15.44 12.04 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.554 -0.716 . . . . 0.0 110.617 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.4 mt -101.4 -9.03 21.49 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.789 0.804 . . . . 0.0 110.245 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -81.41 144.83 31.14 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.778 -0.576 . . . . 0.0 110.32 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.598 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 2.5 mt -63.6 -16.89 62.12 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.405 -0.81 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.21 -59.29 3.56 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.273 -0.892 . . . . 0.0 110.041 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -29.67 70.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 109.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 669' ' ' LEU . 16.7 m95 -86.34 -17.31 34.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.332 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -66.85 -36.93 83.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.264 -0.898 . . . . 0.0 111.258 -178.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -19.34 65.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.95 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 666' ' ' TRP . 0.6 OUTLIER -77.12 -42.89 36.17 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.224 -0.922 . . . . 0.0 109.738 179.178 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -58.89 -35.05 72.38 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.16 63.21 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.758 0.79 . . . . 0.0 108.879 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.578 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.3 OUTLIER -62.99 -52.3 63.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.803 -0.561 . . . . 0.0 111.195 -177.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -46.82 -47.37 21.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.517 -1.364 . . . . 0.0 110.157 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -67.39 12.98 0.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.424 -0.797 . . . . 0.0 112.426 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.713 HG22 ' O ' ' A' ' 675' ' ' ILE . 1.7 mm -76.61 59.92 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.619 -1.301 . . . . 0.0 109.435 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.889 HG22 ' CD1' ' A' ' 679' ' ' LEU . 0.1 OUTLIER -87.21 35.24 0.7 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.228 -0.92 . . . . 0.0 110.668 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.42 -6.08 53.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.389 -0.82 . . . . 0.0 109.867 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.486 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 53.4 p-90 -94.72 -8.33 38.02 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.205 -0.934 . . . . 0.0 110.951 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.889 ' CD1' HG22 ' A' ' 676' ' ' THR . 0.7 OUTLIER -74.41 -30.02 61.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.713 -0.617 . . . . 0.0 111.187 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -25.22 67.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.298 -0.876 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.26 -26.37 68.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.104 -0.997 . . . . 0.0 108.885 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.49 91.84 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.39 -0.819 . . . . 0.0 109.704 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.218 0.532 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 26.54 10.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -97.23 102.33 14.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.368 -0.832 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 6.2 mt -89.17 15.13 9.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.489 -0.757 . . . . 0.0 110.77 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.1 mt -102.86 -9.66 19.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 0.0 110.231 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.93 156.5 16.31 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.257 0.551 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.626 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 3.0 mt -67.04 -14.45 62.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 110.708 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.89 -60.16 3.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.22 -32.96 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -83.82 -18.62 37.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -65.83 -36.54 83.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 111.028 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 58.3 p -67.94 -14.93 63.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.125 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.15 -45.16 11.62 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 121.191 -0.943 . . . . 0.0 109.804 179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -54.6 -32.51 58.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 0.0 108.801 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 675' ' ' ILE . . . -74.15 -21.48 59.84 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.599 -0.688 . . . . 0.0 110.2 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.641 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.2 t-105 -57.44 -52.73 64.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.615 -0.678 . . . . 0.0 112.221 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -55.7 -45.62 77.8 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.91 -1.119 . . . . 0.0 111.429 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -74.7 13.57 0.61 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.969 -1.082 . . . . 0.0 112.544 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 675' ' ' ILE . 4.3 mm -72.88 64.47 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.75 -1.219 . . . . 0.0 110.127 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.768 HG22 HD11 ' A' ' 679' ' ' LEU . 0.8 OUTLIER -85.4 34.54 0.58 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.588 -0.695 . . . . 0.0 110.193 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 3.0 m120 -85.75 -6.47 59.11 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.587 -0.696 . . . . 0.0 109.3 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.502 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 54.7 p-90 -94.0 -8.41 40.0 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.428 -0.795 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.768 HD11 HG22 ' A' ' 676' ' ' THR . 0.7 OUTLIER -72.19 -28.33 63.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.693 -0.629 . . . . 0.0 111.242 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.45 ' CD1' ' N ' ' A' ' 681' ' ' TYR . 0.9 OUTLIER -62.74 -20.62 65.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.228 -0.92 . . . . 0.0 110.565 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.45 ' N ' ' CD1' ' A' ' 680' ' ' TRP . 22.6 t80 -57.46 -24.04 53.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.911 -1.118 . . . . 0.0 108.733 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.32 92.16 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.493 -0.755 . . . . 0.0 109.508 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.296 -1.757 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.217 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.258 0.552 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -106.14 -162.36 0.86 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.118 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.96 -149.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.839 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.1 15.48 17.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.721 ' O ' HD12 ' A' ' 661' ' ' LEU . 0.2 OUTLIER -96.97 4.36 51.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.345 -0.847 . . . . 0.0 110.563 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.4 141.35 31.79 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.575 -0.703 . . . . 0.0 110.208 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.592 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 3.0 mt -61.36 -19.03 61.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.297 -0.877 . . . . 0.0 110.537 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.54 -55.75 16.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.351 -0.843 . . . . 0.0 110.111 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -61.75 -34.37 75.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.382 -0.824 . . . . 0.0 110.073 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 669' ' ' LEU . 14.7 m95 -84.7 -16.01 43.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 0.0 110.78 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -68.81 -35.82 77.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.052 -1.03 . . . . 0.0 111.286 -178.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 42.8 p -65.88 -14.88 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 110.07 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -79.24 -43.65 23.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.124 -0.985 . . . . 0.0 109.321 179.029 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.02 75.55 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -69.85 -31.5 69.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.218 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.901 ' O ' HG23 ' A' ' 675' ' ' ILE . 2.1 t90 -67.28 -49.37 64.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.943 -0.473 . . . . 0.0 110.917 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -52.88 -47.79 67.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.167 -1.583 . . . . 0.0 109.529 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 676' ' ' THR . . . -84.58 26.38 0.81 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.645 -0.659 . . . . 0.0 112.477 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 672' ' ' TRP . 34.5 pt -65.3 71.74 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 111.277 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 674' ' ' ALA . 0.0 OUTLIER -87.3 34.26 0.69 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.652 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -77.36 -23.11 50.89 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.752 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.782 ' CH2' HD11 ' A' ' 679' ' ' LEU . 1.3 p-90 -98.38 -31.02 12.24 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.23 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.782 HD11 ' CH2' ' A' ' 678' ' ' TRP . 0.5 OUTLIER -65.48 -29.37 70.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.806 -0.559 . . . . 0.0 110.874 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -22.64 66.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.488 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.36 -25.32 61.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.945 -1.097 . . . . 0.0 109.015 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.83 92.35 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.458 -0.776 . . . . 0.0 109.675 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt . . . . . 0 C--N 1.296 -1.747 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.225 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.12 0.486 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -32.26 69.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.315 -0.866 . . . . 0.0 110.047 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.575 ' HA ' HD13 ' A' ' 669' ' ' LEU . 17.5 m95 -86.82 -16.87 34.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.401 -0.812 . . . . 0.0 110.546 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.95 83.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.138 -0.976 . . . . 0.0 111.3 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 88.5 p -65.04 -19.28 65.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 110.083 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -76.42 -43.04 42.07 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.233 -0.917 . . . . 0.0 109.946 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.69 -34.81 71.7 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.32 -27.69 62.6 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.723 0.773 . . . . 0.0 109.128 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.783 -0.573 . . . . 0.0 111.382 -177.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -32.41 71.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 109.862 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.59 ' HA ' HD13 ' A' ' 669' ' ' LEU . 18.7 m95 -85.43 -17.0 37.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 110.363 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.05 80.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.23 -0.919 . . . . 0.0 111.129 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 89.7 p -65.57 -15.19 62.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 0.0 110.259 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -81.22 -43.93 18.53 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.16 -0.963 . . . . 0.0 109.853 179.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -35.22 72.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.23 -28.27 63.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.441 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.491 -177.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -32.14 70.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.399 -0.813 . . . . 0.0 110.108 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.518 ' HA ' HD13 ' A' ' 669' ' ' LEU . 18.9 m95 -85.07 -17.07 38.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.488 -0.757 . . . . 0.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.37 80.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 111.479 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 50.0 p -65.66 -16.92 64.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.963 . . . . 0.0 110.174 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -79.79 -43.39 22.56 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.167 -0.958 . . . . 0.0 109.8 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -34.92 71.63 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.73 63.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.489 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.934 -0.479 . . . . 0.0 110.856 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.153 0.501 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -60.86 -32.67 72.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.6 ' CZ3' HD22 ' A' ' 669' ' ' LEU . 16.5 m95 -85.21 -16.82 39.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 110.627 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.33 81.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -14.76 61.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.188 -0.945 . . . . 0.0 110.497 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.6 HD22 ' CZ3' ' A' ' 666' ' ' TRP . 0.8 OUTLIER -82.64 -43.82 16.5 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.122 -0.986 . . . . 0.0 109.888 179.246 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -35.07 71.57 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.64 63.51 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.134 0.492 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -35.72 74.17 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.883 . . . . 0.0 109.764 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.533 ' HA ' HD13 ' A' ' 669' ' ' LEU . 16.9 m95 -85.13 -18.47 34.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.935 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.96 84.1 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 48.3 p -64.81 -19.38 65.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -0.943 . . . . 0.0 110.049 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -75.62 -42.78 50.82 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.143 -0.973 . . . . 0.0 109.766 179.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -59.04 -34.87 72.42 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.39 -28.88 63.27 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.756 0.789 . . . . 0.0 109.082 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.478 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.893 -0.505 . . . . 0.0 111.738 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.169 0.509 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -60.2 -31.62 70.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.549 ' HA ' HD13 ' A' ' 669' ' ' LEU . 17.6 m95 -85.65 -16.98 37.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.371 -0.83 . . . . 0.0 110.421 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.31 -36.73 82.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.409 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 12.8 p -65.33 -17.15 64.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 110.17 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -79.18 -43.22 24.35 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.107 -0.996 . . . . 0.0 109.845 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -34.97 71.67 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.501 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.956 -0.465 . . . . 0.0 110.916 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.151 0.5 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 666' ' ' TRP . 3.4 ptmt -93.49 -30.67 14.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.421 ' N ' ' HG2' ' A' ' 665' ' ' LYS . 18.4 m95 -87.26 -16.71 34.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 110.974 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.03 81.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 110.787 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 14.8 p -67.67 -14.62 63.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.363 -0.836 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -85.65 -45.04 12.07 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.209 -0.932 . . . . 0.0 109.838 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -54.81 -32.73 60.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -74.03 -22.05 59.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.594 -0.691 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.653 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.4 t-105 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.648 -0.657 . . . . 0.0 112.301 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.101 0.477 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -29.67 70.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 109.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 669' ' ' LEU . 16.7 m95 -86.34 -17.31 34.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.332 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.93 83.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.264 -0.898 . . . . 0.0 111.258 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -19.34 65.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.95 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 666' ' ' TRP . 0.6 OUTLIER -77.12 -42.89 36.17 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.224 -0.922 . . . . 0.0 109.738 179.178 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -58.89 -35.05 72.38 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.16 63.21 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.758 0.79 . . . . 0.0 108.879 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.451 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.803 -0.561 . . . . 0.0 111.195 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.258 0.551 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.22 -32.96 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -83.82 -18.62 37.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.54 83.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 111.028 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 58.3 p -67.94 -14.93 63.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.125 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.15 -45.16 11.62 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 121.191 -0.943 . . . . 0.0 109.804 179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -54.6 -32.51 58.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 0.0 108.801 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -74.15 -21.48 59.84 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.599 -0.688 . . . . 0.0 110.2 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.641 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.2 t-105 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.615 -0.678 . . . . 0.0 112.221 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.22 0.533 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -61.75 -34.37 75.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.382 -0.824 . . . . 0.0 110.073 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 669' ' ' LEU . 14.7 m95 -84.7 -16.01 43.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 0.0 110.78 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -68.81 -35.82 77.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.052 -1.03 . . . . 0.0 111.286 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 42.8 p -65.88 -14.88 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 110.07 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -79.24 -43.65 23.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.124 -0.985 . . . . 0.0 109.321 179.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.02 75.55 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -69.85 -31.5 69.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.218 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.943 -0.473 . . . . 0.0 110.917 -178.704 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.153 0.501 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -151.73 122.5 7.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.14 -147.95 0.31 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.398 -0.814 . . . . 0.0 110.101 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.6 mt -92.85 15.57 14.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.288 -0.883 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.69 -13.31 27.67 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.385 -0.822 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.04 143.99 33.58 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-O 121.127 0.489 . . . . 0.0 110.246 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.28 -34.05 66.08 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.345 -0.847 . . . . 0.0 110.593 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.73 -53.21 60.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.59 -0.694 . . . . 0.0 110.231 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -32.26 69.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.315 -0.866 . . . . 0.0 110.047 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.575 ' HA ' HD13 ' A' ' 669' ' ' LEU . 17.5 m95 -86.82 -16.87 34.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.401 -0.812 . . . . 0.0 110.546 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.95 83.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.138 -0.976 . . . . 0.0 111.3 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 88.5 p -65.04 -19.28 65.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 110.083 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -76.42 -43.04 42.07 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.233 -0.917 . . . . 0.0 109.946 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.69 -34.81 71.7 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.32 -27.69 62.6 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.723 0.773 . . . . 0.0 109.128 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.605 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.4 OUTLIER -62.03 -52.02 65.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.783 -0.573 . . . . 0.0 111.382 -177.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 672' ' ' TRP . 4.3 m-85 -45.75 -47.66 15.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.558 -1.339 . . . . 0.0 110.293 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -70.26 13.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.447 -0.783 . . . . 0.0 112.498 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 675' ' ' ILE . 1.8 mm -72.74 61.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 120.651 -1.281 . . . . 0.0 109.797 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.871 HG22 ' CD1' ' A' ' 679' ' ' LEU . 0.1 OUTLIER -87.16 35.03 0.69 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.249 -0.907 . . . . 0.0 110.449 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -91.07 -6.16 54.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.406 -0.809 . . . . 0.0 109.756 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.513 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 50.8 p-90 -94.2 -8.0 40.59 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.237 -0.915 . . . . 0.0 110.921 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.871 ' CD1' HG22 ' A' ' 676' ' ' THR . 0.7 OUTLIER -71.5 -29.53 64.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.705 -0.622 . . . . 0.0 111.168 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -24.32 67.46 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.295 -0.878 . . . . 0.0 110.333 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.14 -25.18 65.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.078 -1.014 . . . . 0.0 108.764 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 682' ' ' ILE . 1.0 OUTLIER -102.59 91.59 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.34 -0.85 . . . . 0.0 109.636 179.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.294 -1.811 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.199 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.219 0.533 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -124.91 118.5 26.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.138 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -96.94 101.14 12.66 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 110.032 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 10.8 mt -92.12 15.35 13.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.553 -0.717 . . . . 0.0 110.608 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.2 mt -101.88 -9.41 20.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.393 -0.817 . . . . 0.0 110.2 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -92.4 158.81 15.86 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 121.233 0.539 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 17.6 mt -70.16 -18.92 63.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.565 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -65.35 -55.98 15.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 110.055 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -32.41 71.7 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.41 -0.806 . . . . 0.0 109.862 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.59 ' HA ' HD13 ' A' ' 669' ' ' LEU . 18.7 m95 -85.43 -17.0 37.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 110.363 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -67.18 -36.05 80.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.23 -0.919 . . . . 0.0 111.129 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 89.7 p -65.57 -15.19 62.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 0.0 110.259 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -81.22 -43.93 18.53 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.16 -0.963 . . . . 0.0 109.853 179.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -35.22 72.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 675' ' ' ILE . . . -72.23 -28.27 63.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.521 ' O ' HG13 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -60.29 -51.81 67.96 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.491 -177.576 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -49.85 -46.99 51.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.859 -1.15 . . . . 0.0 110.863 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.63 11.56 0.62 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.166 -0.959 . . . . 0.0 112.392 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 675' ' ' ILE . 4.4 mt -88.29 62.35 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.744 -1.223 . . . . 0.0 109.803 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.673 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.5 OUTLIER -83.72 33.68 0.48 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.92 0.867 . . . . 0.0 110.194 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -91.12 -11.92 37.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.633 -1.292 . . . . 0.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.509 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 50.1 p-90 -88.68 -7.66 55.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.226 -0.921 . . . . 0.0 110.802 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.9 OUTLIER -70.76 -28.67 64.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.673 -0.642 . . . . 0.0 111.314 -179.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.4 ' O ' ' CE3' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -63.14 -24.32 67.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.286 -0.884 . . . . 0.0 110.504 -179.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.86 -27.93 68.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.982 -1.074 . . . . 0.0 108.919 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.1 mt -102.32 92.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.346 -0.846 . . . . 0.0 109.658 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? . . . . . 0 C--N 1.294 -1.829 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.184 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.168 0.508 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -123.82 -164.2 1.21 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 110.195 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -96.99 -148.87 0.32 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.425 -0.797 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.48 15.41 28.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.312 -0.867 . . . . 0.0 110.522 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.03 -10.89 20.1 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.797 0.808 . . . . 0.0 110.239 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -97.88 148.84 23.02 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.154 0.502 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 2.9 mt -64.71 -16.12 62.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.598 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -60.53 2.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.267 -0.895 . . . . 0.0 110.124 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -32.14 70.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.399 -0.813 . . . . 0.0 110.108 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.518 ' HA ' HD13 ' A' ' 669' ' ' LEU . 18.9 m95 -85.07 -17.07 38.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.488 -0.757 . . . . 0.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -67.54 -36.37 80.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 111.479 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 50.0 p -65.66 -16.92 64.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.963 . . . . 0.0 110.174 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -79.79 -43.39 22.56 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.167 -0.958 . . . . 0.0 109.8 179.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -34.92 71.63 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.73 63.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.555 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.5 OUTLIER -62.41 -53.83 49.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.934 -0.479 . . . . 0.0 110.856 -178.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -52.61 -46.35 66.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.613 -1.305 . . . . 0.0 110.148 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.54 14.11 0.29 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 112.623 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 675' ' ' ILE . 2.5 mm -71.43 61.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.591 -1.318 . . . . 0.0 109.794 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.648 ' O ' HG23 ' A' ' 676' ' ' THR . 1.8 t -87.26 33.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 110.494 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -85.48 -15.11 43.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.488 -0.757 . . . . 0.0 110.09 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.637 ' CZ2' HD11 ' A' ' 679' ' ' LEU . 70.1 p-90 -95.5 -20.91 18.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.41 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.7 OUTLIER -72.16 -29.76 64.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.758 -0.589 . . . . 0.0 110.798 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.441 ' CH2' ' HE3' ' A' ' 683' ' ' LYS . 0.1 OUTLIER -61.51 -23.83 66.18 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.388 -0.82 . . . . 0.0 110.45 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.2 -25.09 61.19 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.035 -1.04 . . . . 0.0 109.034 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.63 92.45 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.463 -0.773 . . . . 0.0 109.615 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.441 ' HE3' ' CH2' ' A' ' 680' ' ' TRP . 8.0 tttt . . . . . 0 C--N 1.296 -1.742 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.211 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.214 0.531 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -131.04 -166.15 1.66 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 0.0 110.209 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.17 92.48 0.18 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.294 -0.879 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.59 15.33 14.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.498 -0.751 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.36 -11.33 21.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.335 -0.853 . . . . 0.0 110.178 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -78.74 153.48 30.8 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-O 121.18 0.514 . . . . 0.0 110.248 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 2.8 mt -66.09 -14.83 62.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.372 -0.83 . . . . 0.0 110.666 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.53 -58.97 4.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 0.0 110.223 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -60.86 -32.67 72.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.123 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.6 ' CZ3' HD22 ' A' ' 669' ' ' LEU . 16.5 m95 -85.21 -16.82 39.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 110.627 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -67.18 -36.33 81.56 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -178.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -14.76 61.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.188 -0.945 . . . . 0.0 110.497 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.6 HD22 ' CZ3' ' A' ' 666' ' ' TRP . 0.8 OUTLIER -82.64 -43.82 16.5 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.122 -0.986 . . . . 0.0 109.888 179.246 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -35.07 71.57 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 675' ' ' ILE . . . -72.02 -28.64 63.51 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.751 ' O ' HG12 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -60.66 -54.79 41.03 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -178.137 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 672' ' ' TRP . 2.5 m-85 -44.22 -47.66 9.3 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.487 -1.383 . . . . 0.0 110.706 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -81.48 13.96 2.75 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.751 HG12 ' O ' ' A' ' 672' ' ' TRP . 1.1 pt -79.33 71.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.298 -1.501 . . . . 0.0 110.652 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 679' ' ' LEU . 1.5 t -87.62 32.94 0.71 Allowed 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.598 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -85.96 -15.88 40.15 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.977 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.606 ' CZ2' HD11 ' A' ' 679' ' ' LEU . 68.9 p-90 -95.7 -20.83 18.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.7 OUTLIER -71.63 -29.35 64.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.757 -0.589 . . . . 0.0 111.021 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -62.17 -23.0 66.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.251 -0.905 . . . . 0.0 110.336 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.83 -25.27 60.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.994 -1.066 . . . . 0.0 108.923 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.7 92.35 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.432 -0.792 . . . . 0.0 109.639 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt . . . . . 0 C--N 1.296 -1.741 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.165 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.173 0.511 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -108.17 143.34 37.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.371 -0.831 . . . . 0.0 110.102 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . 0.911 ' CG ' HD23 ' A' ' 661' ' ' LEU . 0.2 OUTLIER -96.92 -145.17 0.29 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 110.22 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 666' ' ' TRP . 14.7 mt -92.48 16.24 12.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.994 -1.066 . . . . 0.0 111.477 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.911 HD23 ' CG ' ' A' ' 659' ' ' GLU . 3.1 pp -86.03 7.41 24.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.114 -0.991 . . . . 0.0 111.252 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -103.84 155.84 18.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.497 -0.752 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.3 -68.27 0.31 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.32 -0.863 . . . . 0.0 110.487 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -50.08 -33.12 17.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.595 -0.691 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -35.72 74.17 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.883 . . . . 0.0 109.764 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.533 ' HA ' HD13 ' A' ' 669' ' ' LEU . 16.9 m95 -85.13 -18.47 34.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.33 -0.856 . . . . 0.0 109.935 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.96 84.1 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 48.3 p -64.81 -19.38 65.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -0.943 . . . . 0.0 110.049 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -75.62 -42.78 50.82 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.143 -0.973 . . . . 0.0 109.766 179.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -59.04 -34.87 72.42 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 675' ' ' ILE . . . -72.39 -28.88 63.27 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.756 0.789 . . . . 0.0 109.082 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.492 ' O ' HG13 ' A' ' 675' ' ' ILE . 0.2 OUTLIER -59.06 -51.57 69.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.893 -0.505 . . . . 0.0 111.738 -177.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -48.54 -47.41 39.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.829 -1.169 . . . . 0.0 111.179 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.72 10.89 0.74 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.057 -1.027 . . . . 0.0 112.265 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 675' ' ' ILE . 4.4 mt -88.96 64.95 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.849 -1.157 . . . . 0.0 109.796 178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.957 HG22 HD13 ' A' ' 679' ' ' LEU . 0.0 OUTLIER -70.43 34.67 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.457 -0.777 . . . . 0.0 111.028 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 675' ' ' ILE . 15.1 m120 -95.61 -6.55 39.97 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.319 -0.863 . . . . 0.0 109.737 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.518 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 49.3 p-90 -93.35 -9.56 38.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.204 -0.935 . . . . 0.0 111.056 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.957 HD13 HG22 ' A' ' 676' ' ' THR . 0.6 OUTLIER -72.18 -29.48 64.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.733 -0.604 . . . . 0.0 110.932 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -25.48 68.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.808 . . . . 0.0 110.316 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -63.58 -27.19 69.08 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.049 -1.032 . . . . 0.0 108.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 682' ' ' ILE . 1.1 mt -101.93 91.41 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp . . . . . 0 C--N 1.294 -1.841 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.22 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.248 0.547 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -143.08 -168.59 2.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.301 -0.874 . . . . 0.0 110.189 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.99 92.72 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.326 -0.859 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' A' ' 665' ' ' LYS . 14.0 mt -91.22 15.3 12.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.672 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.3 mt -102.37 -9.71 20.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.409 -0.807 . . . . 0.0 110.192 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.12 158.3 19.2 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.87 -0.519 . . . . 0.0 110.156 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 1.2 mt -70.28 -15.87 62.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.413 -0.804 . . . . 0.0 110.586 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -59.17 4.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.283 -0.886 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.544 ' HB3' HD23 ' A' ' 660' ' ' LEU . 1.4 mtpt -60.2 -31.62 70.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.114 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.549 ' HA ' HD13 ' A' ' 669' ' ' LEU . 17.6 m95 -85.65 -16.98 37.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.371 -0.83 . . . . 0.0 110.421 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -67.31 -36.73 82.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.409 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 12.8 p -65.33 -17.15 64.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 110.17 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 666' ' ' TRP . 0.7 OUTLIER -79.18 -43.22 24.35 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.107 -0.996 . . . . 0.0 109.845 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -34.97 71.67 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.538 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.6 OUTLIER -62.08 -53.78 50.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.956 -0.465 . . . . 0.0 110.916 -178.107 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -52.03 -46.44 65.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.701 -1.249 . . . . 0.0 110.362 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -70.89 13.22 0.21 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.408 -0.807 . . . . 0.0 112.626 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 675' ' ' ILE . 2.6 mm -74.46 60.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.673 -1.267 . . . . 0.0 109.658 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.671 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.6 OUTLIER -87.21 33.54 0.68 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.908 0.861 . . . . 0.0 109.961 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -83.24 -20.08 35.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.74 -1.225 . . . . 0.0 110.267 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.484 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 63.4 p-90 -76.56 -12.55 60.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.372 -0.83 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.8 OUTLIER -73.33 -29.27 62.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.008 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -23.67 66.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.308 -0.87 . . . . 0.0 110.526 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -57.58 -24.46 56.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.077 -1.014 . . . . 0.0 108.92 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.13 92.32 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.375 -0.828 . . . . 0.0 109.651 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt . . . . . 0 C--N 1.295 -1.777 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.214 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.162 0.505 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -117.53 130.76 56.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.466 -0.771 . . . . 0.0 110.191 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -96.98 -149.63 0.33 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.863 . . . . 0.0 109.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.732 HD23 ' NZ ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -96.28 15.0 22.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.529 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.08 -4.65 24.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.796 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.17 138.82 58.67 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.228 0.537 . . . . 0.0 110.317 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 4.7 mt -71.09 -17.76 62.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.468 -0.77 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -53.88 -35.89 62.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.143 -0.973 . . . . 0.0 110.578 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.732 ' NZ ' HD23 ' A' ' 660' ' ' LEU . 3.4 ptmt -93.49 -30.67 14.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.421 ' N ' ' HG2' ' A' ' 665' ' ' LYS . 18.4 m95 -87.26 -16.71 34.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 110.974 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -66.96 -36.03 81.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 110.787 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 14.8 p -67.67 -14.62 63.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.363 -0.836 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -85.65 -45.04 12.07 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.209 -0.932 . . . . 0.0 109.838 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -54.81 -32.73 60.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.485 ' O ' HG12 ' A' ' 675' ' ' ILE . . . -74.03 -22.05 59.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.594 -0.691 . . . . 0.0 110.12 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.653 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.4 t-105 -57.37 -53.13 61.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.648 -0.657 . . . . 0.0 112.301 -177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -55.35 -45.51 76.46 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.006 -1.059 . . . . 0.0 111.553 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.83 13.44 0.51 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.01 -1.056 . . . . 0.0 112.669 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 675' ' ' ILE . 4.0 mm -75.8 59.77 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.659 -1.275 . . . . 0.0 110.058 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.664 ' O ' ' CG2' ' A' ' 676' ' ' THR . 0.6 OUTLIER -86.96 33.78 0.67 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.935 0.874 . . . . 0.0 110.014 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.548 ' HA ' ' CZ2' ' A' ' 680' ' ' TRP . 44.0 p-10 -88.96 -13.95 37.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.561 -1.337 . . . . 0.0 110.727 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.518 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 47.1 p-90 -87.34 -6.72 58.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.25 -0.907 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 676' ' ' THR . 0.8 OUTLIER -68.88 -31.23 70.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.749 -0.594 . . . . 0.0 112.258 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.548 ' CZ2' ' HA ' ' A' ' 677' ' ' ASN . 1.3 m0 -62.31 -22.54 66.13 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.871 -1.143 . . . . 0.0 110.044 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -57.13 -24.94 57.71 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.047 -1.033 . . . . 0.0 108.725 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.37 92.27 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.6 pttt . . . . . 0 C--N 1.296 -1.738 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.278 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.165 0.507 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.04 -160.19 0.42 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 110.15 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.87 92.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.27 -0.894 . . . . 0.0 110.034 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.31 15.44 12.04 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.554 -0.716 . . . . 0.0 110.617 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 3.4 mt -101.4 -9.03 21.49 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.789 0.804 . . . . 0.0 110.245 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -81.41 144.83 31.14 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.778 -0.576 . . . . 0.0 110.32 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.598 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 2.5 mt -63.6 -16.89 62.12 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.405 -0.81 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.21 -59.29 3.56 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.273 -0.892 . . . . 0.0 110.041 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -29.67 70.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.426 -0.796 . . . . 0.0 109.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 669' ' ' LEU . 16.7 m95 -86.34 -17.31 34.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.379 -0.826 . . . . 0.0 110.332 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -66.85 -36.93 83.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.264 -0.898 . . . . 0.0 111.258 -178.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -19.34 65.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.95 . . . . 0.0 110.089 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 666' ' ' TRP . 0.6 OUTLIER -77.12 -42.89 36.17 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.224 -0.922 . . . . 0.0 109.738 179.178 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 38.7 t-105 -58.89 -35.05 72.38 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.16 63.21 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.758 0.79 . . . . 0.0 108.879 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.578 ' O ' ' CG1' ' A' ' 675' ' ' ILE . 0.3 OUTLIER -62.99 -52.3 63.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.803 -0.561 . . . . 0.0 111.195 -177.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -46.82 -47.37 21.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.517 -1.364 . . . . 0.0 110.157 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -67.39 12.98 0.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.424 -0.797 . . . . 0.0 112.426 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.713 HG22 ' O ' ' A' ' 675' ' ' ILE . 1.7 mm -76.61 59.92 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.619 -1.301 . . . . 0.0 109.435 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.889 HG22 ' CD1' ' A' ' 679' ' ' LEU . 0.1 OUTLIER -87.21 35.24 0.7 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.228 -0.92 . . . . 0.0 110.668 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.42 -6.08 53.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.389 -0.82 . . . . 0.0 109.867 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.486 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 53.4 p-90 -94.72 -8.33 38.02 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.205 -0.934 . . . . 0.0 110.951 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.889 ' CD1' HG22 ' A' ' 676' ' ' THR . 0.7 OUTLIER -74.41 -30.02 61.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.713 -0.617 . . . . 0.0 111.187 -179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -25.22 67.07 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.298 -0.876 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.26 -26.37 68.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.104 -0.997 . . . . 0.0 108.885 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.49 91.84 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.39 -0.819 . . . . 0.0 109.704 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.218 0.532 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.4 26.54 10.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.36 -0.837 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -97.23 102.33 14.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.368 -0.832 . . . . 0.0 110.092 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 6.2 mt -89.17 15.13 9.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.489 -0.757 . . . . 0.0 110.77 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 4.1 mt -102.86 -9.66 19.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 0.0 110.231 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.93 156.5 16.31 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.257 0.551 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.626 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 3.0 mt -67.04 -14.45 62.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 110.708 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.89 -60.16 3.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -60.22 -32.96 71.62 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.302 -0.874 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -83.82 -18.62 37.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -65.83 -36.54 83.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.271 -0.893 . . . . 0.0 111.028 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 58.3 p -67.94 -14.93 63.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.346 -0.846 . . . . 0.0 110.125 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.15 -45.16 11.62 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 121.191 -0.943 . . . . 0.0 109.804 179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -54.6 -32.51 58.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 0.0 108.801 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 675' ' ' ILE . . . -74.15 -21.48 59.84 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.599 -0.688 . . . . 0.0 110.2 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.641 ' HB3' ' O ' ' A' ' 669' ' ' LEU . 20.2 t-105 -57.44 -52.73 64.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.615 -0.678 . . . . 0.0 112.221 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -55.7 -45.62 77.8 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.91 -1.119 . . . . 0.0 111.429 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -74.7 13.57 0.61 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.969 -1.082 . . . . 0.0 112.544 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 675' ' ' ILE . 4.3 mm -72.88 64.47 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.75 -1.219 . . . . 0.0 110.127 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.768 HG22 HD11 ' A' ' 679' ' ' LEU . 0.8 OUTLIER -85.4 34.54 0.58 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.588 -0.695 . . . . 0.0 110.193 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 3.0 m120 -85.75 -6.47 59.11 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.587 -0.696 . . . . 0.0 109.3 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.502 ' CZ3' ' HG ' ' A' ' 679' ' ' LEU . 54.7 p-90 -94.0 -8.41 40.0 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.428 -0.795 . . . . 0.0 110.726 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.768 HD11 HG22 ' A' ' 676' ' ' THR . 0.7 OUTLIER -72.19 -28.33 63.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.693 -0.629 . . . . 0.0 111.242 -179.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.45 ' CD1' ' N ' ' A' ' 681' ' ' TYR . 0.9 OUTLIER -62.74 -20.62 65.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.228 -0.92 . . . . 0.0 110.565 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.45 ' N ' ' CD1' ' A' ' 680' ' ' TRP . 22.6 t80 -57.46 -24.04 53.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.911 -1.118 . . . . 0.0 108.733 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.32 92.16 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.493 -0.755 . . . . 0.0 109.508 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.4 tttm . . . . . 0 C--N 1.296 -1.757 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.217 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.258 0.552 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -106.14 -162.36 0.86 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.118 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.96 -149.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.839 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.1 15.48 17.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.721 ' O ' HD12 ' A' ' 661' ' ' LEU . 0.2 OUTLIER -96.97 4.36 51.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.345 -0.847 . . . . 0.0 110.563 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.4 141.35 31.79 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.575 -0.703 . . . . 0.0 110.208 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.592 ' O ' ' HB2' ' A' ' 667' ' ' ALA . 3.0 mt -61.36 -19.03 61.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.297 -0.877 . . . . 0.0 110.537 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.54 -55.75 16.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.351 -0.843 . . . . 0.0 110.111 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -61.75 -34.37 75.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.382 -0.824 . . . . 0.0 110.073 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 669' ' ' LEU . 14.7 m95 -84.7 -16.01 43.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 0.0 110.78 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 663' ' ' LEU . . . -68.81 -35.82 77.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.052 -1.03 . . . . 0.0 111.286 -178.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 42.8 p -65.88 -14.88 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 110.07 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -79.24 -43.65 23.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.124 -0.985 . . . . 0.0 109.321 179.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.02 75.55 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -69.85 -31.5 69.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.218 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.901 ' O ' HG23 ' A' ' 675' ' ' ILE . 2.1 t90 -67.28 -49.37 64.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.943 -0.473 . . . . 0.0 110.917 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -52.88 -47.79 67.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.167 -1.583 . . . . 0.0 109.529 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 676' ' ' THR . . . -84.58 26.38 0.81 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.645 -0.659 . . . . 0.0 112.477 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 672' ' ' TRP . 34.5 pt -65.3 71.74 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 111.277 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 674' ' ' ALA . 0.0 OUTLIER -87.3 34.26 0.69 Allowed 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.652 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -77.36 -23.11 50.89 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.752 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.782 ' CH2' HD11 ' A' ' 679' ' ' LEU . 1.3 p-90 -98.38 -31.02 12.24 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.23 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.782 HD11 ' CH2' ' A' ' 678' ' ' TRP . 0.5 OUTLIER -65.48 -29.37 70.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.806 -0.559 . . . . 0.0 110.874 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -22.64 66.31 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.264 -0.898 . . . . 0.0 110.488 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.36 -25.32 61.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.945 -1.097 . . . . 0.0 109.015 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.83 92.35 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.458 -0.776 . . . . 0.0 109.675 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt . . . . . 0 C--N 1.296 -1.747 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.225 -179.975 . . . . . . . . 0 0 . 1 stop_ save_