data_1d9p_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 1d9p _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.4 -34.23 1.94 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -1.078 . . . . 0.0 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.59 -50.95 55.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.628 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.1 mm? -69.11 -26.37 64.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.381 -0.824 . . . . 0.0 109.9 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 18' ' ' LYS . 48.2 t-80 -73.92 -57.15 4.17 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.924 0.868 . . . . 0.0 110.566 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' HIS . 2.7 t -42.73 -31.7 0.51 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.788 0.804 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.54 -27.39 25.61 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.395 0.617 . . . . 0.0 109.897 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' HIS . 25.9 tttt -58.8 -24.37 61.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 110.38 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 -1.04 7.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 0.0 110.723 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.97 . . . . 0.0 110.041 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' O ' HD22 ' A' ' 14' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -28.94 57.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -1.168 . . . . 0.0 109.975 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -27.79 66.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.428 -0.795 . . . . 0.0 110.072 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -74.39 -58.36 3.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.8 t60 -49.87 -63.67 1.04 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 p -47.42 -24.08 0.73 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.632 0.73 . . . . 0.0 109.8 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 14' ' ' LEU . . . -88.81 -24.72 22.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.591 -0.693 . . . . 0.0 109.443 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' HIS . 27.3 ttpt -78.81 -4.1 47.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.462 -0.774 . . . . 0.0 109.723 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -111.46 -38.38 4.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.396 -0.815 . . . . 0.0 109.487 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -30.98 14.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.288 -1.125 . . . . 0.0 110.853 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -25.21 3.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.16 -0.963 . . . . 0.0 109.478 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.53 -47.07 64.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.486 -0.759 . . . . 0.0 110.141 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.55 -65.21 0.67 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -42.81 14.62 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.883 0.849 . . . . 0.0 109.571 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.17 81.81 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.737 -0.602 . . . . 0.0 109.546 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -75.91 -10.84 59.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 24.4 tttp -98.37 -7.28 29.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.648 -0.657 . . . . 0.0 109.648 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.335 -0.853 . . . . 0.0 109.76 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -24.03 66.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.484 -1.01 . . . . 0.0 110.951 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.3 m-85 -65.15 -47.64 76.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.055 -1.028 . . . . 0.0 110.033 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -22.73 64.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.215 -0.928 . . . . 0.0 109.258 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.63 -65.0 1.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.667 0.746 . . . . 0.0 110.17 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 2.0 t -46.96 -36.36 7.62 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.504 0.668 . . . . 0.0 110.493 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' PHE . . . -69.1 -48.81 61.58 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.529 -0.732 . . . . 0.0 110.403 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.43 3.52 27.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.017 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -134.17 4.01 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.094 -1.004 . . . . 0.0 111.04 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.2 t80 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 120.969 -1.082 . . . . 0.0 110.454 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -66.66 -27.46 67.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.178 -1.189 . . . . 0.0 110.414 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -35.78 62.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 109.617 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.14 -26.02 31.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 110.067 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -55.01 -68.46 0.19 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.474 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -15.4 46.04 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.481 0.658 . . . . 0.0 110.461 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.77 -34.15 45.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -86.12 -20.54 28.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 110.375 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 3.94 28.28 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.555 -0.715 . . . . 0.0 109.767 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 16' ' ' SER . 8.5 mtpm? -55.5 -50.55 69.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -1.203 . . . . 0.0 110.239 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -76.64 -51.09 12.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.451 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -46.92 10.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 110.532 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -69.64 -68.79 0.39 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -47.99 -29.42 3.44 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.575 0.703 . . . . 0.0 110.361 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -62.0 -46.23 90.11 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.562 -0.711 . . . . 0.0 109.568 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -81.25 -3.97 54.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -108.16 4.96 25.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.49 -0.756 . . . . 0.0 109.87 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 16' ' ' SER . 1.8 t80 . . . . . 0 N--CA 1.488 1.436 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -28.51 65.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.227 -1.161 . . . . 0.0 110.731 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -32.11 71.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 110.066 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 13.7 tp -76.06 -42.36 47.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 28.3 t-80 -56.46 -47.92 78.17 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.102 0.953 . . . . 0.0 109.553 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.13 -62.84 1.09 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.765 0.793 . . . . 0.0 109.784 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -6.93 30.08 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.759 -0.588 . . . . 0.0 110.025 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.92 -16.94 54.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 110.034 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 19.6 mmtt -110.91 -22.42 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.475 -0.765 . . . . 0.0 110.161 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 109.671 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -74.1 -35.69 64.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.254 . . . . 0.0 111.072 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -40.43 89.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.059 -1.026 . . . . 0.0 110.615 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.26 97.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.428 -0.795 . . . . 0.0 111.043 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.0 -56.92 9.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.091 -1.006 . . . . 0.0 110.917 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.555 ' HA ' ' CG ' ' A' ' 19' ' ' LYS . 1.3 p -55.27 -16.74 3.61 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.701 -0.624 . . . . 0.0 110.573 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.64 -39.76 30.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 110.131 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -0.51 55.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.268 -0.895 . . . . 0.0 110.364 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -126.99 2.25 6.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.424 ' HB2' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.973 -1.08 . . . . 0.0 110.023 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -76.2 -24.22 54.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.899 -1.354 . . . . 0.0 110.386 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.532 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 t80 -64.02 -44.18 93.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.122 -0.986 . . . . 0.0 109.459 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.0 mt -52.67 -42.11 64.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 109.873 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' LYS . 57.6 t-80 -53.78 -63.11 1.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 122.026 0.917 . . . . 0.0 109.876 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -44.93 -25.63 0.33 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.574 0.702 . . . . 0.0 109.979 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.51 -29.75 37.29 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.526 -0.734 . . . . 0.0 109.819 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -70.95 -15.75 62.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.102 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 7.7 tptp -136.16 4.53 2.96 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.405 -0.81 . . . . 0.0 110.45 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 109.982 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -33.47 31.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.134 -1.215 . . . . 0.0 110.299 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.84 73.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.83 -16.29 26.96 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.856 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 1.6 t-80 -73.87 -40.94 62.87 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.195 -0.941 . . . . 0.0 109.846 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -29.0 25.97 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.764 0.792 . . . . 0.0 109.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.39 30.78 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.619 -0.676 . . . . 0.0 109.654 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -78.64 0.36 26.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.386 -0.821 . . . . 0.0 109.846 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -111.64 -19.56 12.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.831 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 109.906 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 16' ' ' SER . 0.0 OUTLIER -57.21 -27.3 61.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.234 -1.156 . . . . 0.0 110.089 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -41.22 43.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.47 -47.82 53.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.218 -0.927 . . . . 0.0 110.054 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -59.19 -49.65 77.03 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.27 -0.894 . . . . 0.0 109.689 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 20' ' ' PHE . 2.0 t -57.18 -17.3 10.58 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.552 0.692 . . . . 0.0 109.804 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.76 -35.45 38.67 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.59 -0.694 . . . . 0.0 109.737 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -72.48 -22.22 61.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.28 -0.887 . . . . 0.0 109.865 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.38 -2.04 11.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.587 -0.696 . . . . 0.0 109.837 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' HB3' ' O ' ' A' ' 16' ' ' SER . 1.1 t80 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 110.076 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.53 -41.55 21.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -1.115 . . . . 0.0 110.47 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.479 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -65.28 -23.25 66.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.86 . . . . 0.0 110.719 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -57.01 14.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.232 -0.918 . . . . 0.0 111.197 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -46.29 88.42 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.113 -0.992 . . . . 0.0 110.294 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.479 ' OG ' ' HA ' ' A' ' 13' ' ' PHE . 4.2 p -62.04 -11.81 15.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 13' ' ' PHE . . . -102.16 -33.35 9.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -70.1 -11.51 60.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.531 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -131.87 -10.81 3.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.499 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 16' ' ' SER . 6.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.004 -1.06 . . . . 0.0 109.689 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.114 -1.595 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -38.6 87.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.468 -1.019 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.192 -0.942 . . . . 0.0 110.295 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -33.5 75.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.112 -0.992 . . . . 0.0 109.854 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.38 -60.46 2.94 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.102 0.953 . . . . 0.0 109.702 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 21.3 p -54.75 -17.91 4.06 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.62 0.724 . . . . 0.0 109.855 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.6 -13.88 31.18 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.296 -0.877 . . . . 0.0 109.659 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -20.28 29.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -150.44 20.34 0.83 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.389 -0.819 . . . . 0.0 110.745 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.75 -12.83 26.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -1.135 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -50.52 31.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.107 -0.995 . . . . 0.0 110.118 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.52 -34.54 71.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.984 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -63.36 -64.98 0.75 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -49.52 -21.53 0.99 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.495 0.664 . . . . 0.0 110.36 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.05 -57.83 3.62 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.52 -0.738 . . . . 0.0 109.768 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -84.37 8.86 14.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.42 -0.8 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.9 tptt -133.18 3.79 3.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.942 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.111 -0.993 . . . . 0.0 109.77 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -59.7 -22.43 62.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.202 -1.175 . . . . 0.0 110.633 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -51.93 13.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.987 . . . . 0.0 110.508 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -35.45 74.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.111 -0.993 . . . . 0.0 110.104 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.09 -53.93 15.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 11.6 t -54.98 -45.99 75.07 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.708 0.766 . . . . 0.0 109.833 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.73 72.02 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.346 -0.846 . . . . 0.0 109.376 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -84.81 -0.64 54.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 0.0 109.841 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.32 50.45 0.34 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.524 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' SER . 9.8 t80 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 110.048 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.86 -48.75 20.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -1.191 . . . . 0.0 110.548 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -44.45 96.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.083 -1.011 . . . . 0.0 109.653 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.515 ' N ' HD21 ' A' ' 14' ' ' LEU . 2.6 mm? -68.23 -30.15 69.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.452 -0.78 . . . . 0.0 109.766 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -72.91 -53.3 11.7 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.4 -0.813 . . . . 0.0 110.258 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -51.91 -33.61 37.85 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.547 0.689 . . . . 0.0 110.432 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.92 64.48 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -74.67 -7.77 54.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.241 -0.912 . . . . 0.0 110.239 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -123.45 -22.51 5.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.028 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.912 . . . . 0.0 109.927 179.738 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 mptt -42.63 -28.6 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -1.179 . . . . 0.0 110.421 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -38.2 27.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 110.378 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.15 -25.31 58.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.527 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 -49.11 25.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 109.614 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -57.94 -17.73 18.82 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.764 0.793 . . . . 0.0 109.637 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.4 -41.14 14.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.602 -0.686 . . . . 0.0 109.978 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.0 -6.96 36.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.32 -0.863 . . . . 0.0 110.03 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -115.35 -13.49 11.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.428 -0.795 . . . . 0.0 109.825 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.355 -0.84 . . . . 0.0 109.813 179.624 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.99 -14.03 20.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.438 -1.036 . . . . 0.0 109.834 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -27.73 63.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.69 -35.59 29.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.221 -0.924 . . . . 0.0 110.569 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -62.32 -57.64 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 110.495 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 t -50.25 -20.42 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.421 0.629 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.45 -53.88 6.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.196 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -54.18 -18.97 4.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.36 -35.26 21.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.717 -0.614 . . . . 0.0 110.029 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 3.4 m-85 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.912 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' OG ' ' A' ' 16' ' ' SER . 18.1 ttpp -42.23 -39.64 2.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -1.055 . . . . 0.0 109.936 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -29.22 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.236 -0.915 . . . . 0.0 109.429 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 2.4 tp -93.71 -49.19 5.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -47.57 -59.63 3.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 12' ' ' LYS . 16.3 p -55.34 -18.99 7.51 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.708 0.766 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 14' ' ' LEU . . . -75.94 -31.12 58.94 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.589 -0.695 . . . . 0.0 110.084 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 -21.94 33.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.891 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.7 ttpt -90.74 -10.63 42.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.564 -0.71 . . . . 0.0 109.729 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 6.0 t80 . . . . . 0 N--CA 1.487 1.403 0 O-C-N 121.378 -0.826 . . . . 0.0 109.241 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -29.0 68.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -1.154 . . . . 0.0 110.172 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.55 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.947 . . . . 0.0 109.894 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -66.82 -20.68 65.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 110.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -79.36 -60.33 2.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -63.08 -11.22 18.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.388 0.613 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 13' ' ' PHE . . . -90.73 -40.47 11.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.487 -0.758 . . . . 0.0 110.073 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -79.71 -8.45 59.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -128.64 1.24 5.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.462 -0.774 . . . . 0.0 110.074 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.268 -0.895 . . . . 0.0 109.869 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.298 0.571 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.53 172.68 12.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 0.0 110.104 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -120.08 59.68 0.88 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.208 -0.932 . . . . 0.0 110.048 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -49.24 -19.72 0.52 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.305 -0.872 . . . . 0.0 110.614 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.538 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 3.6 m-85 -45.3 -32.64 2.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.042 -1.036 . . . . 0.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' O ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -70.35 -23.71 62.85 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.179 0.514 . . . . 0.0 110.241 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.89 -20.32 2.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.056 -1.027 . . . . 0.0 110.287 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.416 HG23 HD12 ' A' ' 8' ' ' ILE . 4.7 mt -99.88 -11.67 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 109.596 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.48 -12.54 55.8 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 6' ' ' LYS . 23.1 mt -86.85 35.38 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -1.168 . . . . 0.0 110.253 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.13 -68.16 1.09 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.4 -34.23 1.94 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -1.078 . . . . 0.0 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.59 -50.95 55.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.628 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.1 mm? -69.11 -26.37 64.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.381 -0.824 . . . . 0.0 109.9 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 18' ' ' LYS . 48.2 t-80 -73.92 -57.15 4.17 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.924 0.868 . . . . 0.0 110.566 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' HIS . 2.7 t -42.73 -31.7 0.51 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.788 0.804 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -85.54 -27.39 25.61 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.395 0.617 . . . . 0.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' HIS . 25.9 tttt -58.8 -24.37 61.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 110.38 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 -1.04 7.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 0.0 110.723 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.39 21.07 0.23 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.97 . . . . 0.0 110.041 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.514 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.335 0.588 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.443 HD21 HD12 ' A' ' 4' ' ' LEU . 1.5 mp -64.13 153.21 38.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.1 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 44.39 1.03 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.196 -0.94 . . . . 0.0 110.382 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' O ' HG12 ' A' ' 8' ' ' ILE . 25.6 mt -109.73 8.22 24.6 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 110.015 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -46.89 -48.19 21.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.434 -0.791 . . . . 0.0 111.162 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -84.06 -14.64 50.02 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.617 -0.677 . . . . 0.0 110.918 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 6.35 26.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.976 -1.077 . . . . 0.0 110.715 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 4' ' ' LEU . 13.0 mm -76.81 -49.38 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.108 -0.995 . . . . 0.0 110.327 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.66 -26.17 38.35 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 5.0 mp -108.52 45.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.219 -1.165 . . . . 0.0 110.269 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -93.56 -46.08 3.3 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -28.94 57.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -1.168 . . . . 0.0 109.975 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -27.79 66.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.428 -0.795 . . . . 0.0 110.072 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -74.39 -58.36 3.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.8 t60 -49.87 -63.67 1.04 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 p -47.42 -24.08 0.73 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.632 0.73 . . . . 0.0 109.8 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 14' ' ' LEU . . . -88.81 -24.72 22.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.591 -0.693 . . . . 0.0 109.443 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' HIS . 27.3 ttpt -78.81 -4.1 47.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.462 -0.774 . . . . 0.0 109.723 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -111.46 -38.38 4.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.66 -0.89 3.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.396 -0.815 . . . . 0.0 109.487 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.159 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.222 0.534 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.12 120.07 41.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.241 -0.912 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' HD11 ' A' ' 4' ' ' LEU . 1.5 ttmp? -123.42 7.62 9.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.027 -1.046 . . . . 0.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.433 HD11 ' C ' ' A' ' 3' ' ' LYS . 4.9 mp -146.17 49.25 1.19 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.171 -0.956 . . . . 0.0 110.159 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.47 -47.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 111.017 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -24.8 25.26 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.62 -0.675 . . . . 0.0 110.591 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -7.53 21.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.194 -0.941 . . . . 0.0 110.723 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HB ' HD11 ' A' ' 10' ' ' ILE . 10.0 mm -82.45 -31.57 9.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.295 -0.878 . . . . 0.0 110.381 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.1 61.16 1.68 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 10' ' ' ILE . 2.3 mp -94.94 -11.4 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.193 -1.18 . . . . 0.0 110.04 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.08 -66.16 2.97 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -30.98 14.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.288 -1.125 . . . . 0.0 110.853 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -50.58 -25.21 3.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.16 -0.963 . . . . 0.0 109.478 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.53 -47.07 64.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.486 -0.759 . . . . 0.0 110.141 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.55 -65.21 0.67 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -42.81 14.62 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.883 0.849 . . . . 0.0 109.571 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.17 81.81 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.737 -0.602 . . . . 0.0 109.546 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -75.91 -10.84 59.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 24.4 tttp -98.37 -7.28 29.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.648 -0.657 . . . . 0.0 109.648 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.5 -0.95 2.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.335 -0.853 . . . . 0.0 109.76 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.403 0 O-C-N 120.098 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.236 0.541 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 mp -83.21 127.11 33.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.67 70.89 1.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.772 . . . . 0.0 109.244 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.35 15.67 6.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.439 -0.788 . . . . 0.0 111.683 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -84.68 -52.16 6.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.797 -1.189 . . . . 0.0 110.161 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -26.74 5.67 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.262 0.553 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -8.16 32.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.216 -0.928 . . . . 0.0 110.249 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 mt -113.03 -8.5 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.441 -0.787 . . . . 0.0 110.118 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -55.83 10.64 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mm -55.98 -19.71 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -1.126 . . . . 0.0 110.455 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.63 -51.45 2.88 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -24.03 66.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.484 -1.01 . . . . 0.0 110.951 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.3 m-85 -65.15 -47.64 76.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.055 -1.028 . . . . 0.0 110.033 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -22.73 64.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.215 -0.928 . . . . 0.0 109.258 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.63 -65.0 1.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.667 0.746 . . . . 0.0 110.17 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 2.0 t -46.96 -36.36 7.62 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.504 0.668 . . . . 0.0 110.493 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' PHE . . . -69.1 -48.81 61.58 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.529 -0.732 . . . . 0.0 110.403 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.43 3.52 27.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.017 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -134.17 4.01 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.094 -1.004 . . . . 0.0 111.04 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.2 t80 -141.93 -3.45 1.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.969 -1.082 . . . . 0.0 110.454 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.715 -1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 18.7 mtpt . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.399 0.619 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.6 OUTLIER 67.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.142 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 2' ' ' LEU . 7.1 mtmt -152.83 39.79 0.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.051 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -46.16 -48.41 17.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.259 -0.901 . . . . 0.0 110.628 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.8 -39.17 52.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.217 -0.927 . . . . 0.0 110.922 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -78.91 4.01 15.4 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.661 -0.649 . . . . 0.0 111.295 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 12.2 mmtt -71.75 -15.57 62.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.089 -1.007 . . . . 0.0 109.695 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.9 mt -87.12 -6.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.762 -0.586 . . . . 0.0 110.953 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 13.95 60.56 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.43 HG21 HD11 ' A' ' 10' ' ' ILE . 25.1 mt -69.9 -47.82 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -1.177 . . . . 0.0 110.217 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.26 -24.91 32.68 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -66.66 -27.46 67.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.178 -1.189 . . . . 0.0 110.414 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -35.78 62.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 109.617 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.14 -26.02 31.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 110.067 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -55.01 -68.46 0.19 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.474 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -15.4 46.04 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.481 0.658 . . . . 0.0 110.461 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.77 -34.15 45.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -86.12 -20.54 28.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 110.375 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 3.94 28.28 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.555 -0.715 . . . . 0.0 109.767 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.12 -35.96 0.1 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 pttp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.289 0.566 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -171.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.309 -0.87 . . . . 0.0 110.665 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 12.7 mmtm -99.31 27.38 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.872 . . . . 0.0 110.302 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mp -46.21 -32.05 2.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.39 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.477 ' O ' ' CG1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.307 -0.871 . . . . 0.0 110.201 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HD2' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -61.74 -16.59 50.62 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.58 -0.7 . . . . 0.0 109.571 179.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 12.9 mmmt -80.2 -6.82 58.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 5' ' ' PHE . 11.5 mm -55.62 -28.78 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.559 -0.713 . . . . 0.0 110.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.88 -37.05 61.02 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.2 mm -86.16 46.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -1.116 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.24 -39.57 0.93 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 16' ' ' SER . 8.5 mtpm? -55.5 -50.55 69.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -1.203 . . . . 0.0 110.239 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -76.64 -51.09 12.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.451 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -44.57 -46.92 10.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 110.532 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -69.64 -68.79 0.39 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -47.99 -29.42 3.44 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.575 0.703 . . . . 0.0 110.361 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -62.0 -46.23 90.11 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.562 -0.711 . . . . 0.0 109.568 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -81.25 -3.97 54.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -108.16 4.96 25.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.49 -0.756 . . . . 0.0 109.87 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 16' ' ' SER . 1.8 t80 -126.19 -22.64 4.03 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.42 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.251 0.548 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.21 153.45 15.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.926 . . . . 0.0 109.92 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -131.92 60.21 1.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.623 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.91 18.6 5.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.151 -0.968 . . . . 0.0 109.983 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.15 -19.33 10.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.874 . . . . 0.0 110.317 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -2.34 12.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.841 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.92 1.72 22.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.126 -0.984 . . . . 0.0 110.177 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.9 mt -118.68 -42.88 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.55 77.01 0.69 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.486 HD13 HG21 ' A' ' 10' ' ' ILE . 39.6 mt -137.15 -35.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -1.131 . . . . 0.0 110.465 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.52 -66.41 2.27 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -28.51 65.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.227 -1.161 . . . . 0.0 110.731 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -32.11 71.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 110.066 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 13.7 tp -76.06 -42.36 47.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 28.3 t-80 -56.46 -47.92 78.17 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.102 0.953 . . . . 0.0 109.553 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.13 -62.84 1.09 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.765 0.793 . . . . 0.0 109.784 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -68.87 -6.93 30.08 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.759 -0.588 . . . . 0.0 110.025 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.92 -16.94 54.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 110.034 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 19.6 mmtt -110.91 -22.42 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.475 -0.765 . . . . 0.0 110.161 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 -157.52 -47.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 109.671 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.54 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.301 -1.501 0 O-C-N 120.159 -1.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.176 0.513 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' LYS . 3.3 mp 45.17 -171.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.118 -0.989 . . . . 0.0 110.15 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -126.76 8.72 6.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.188 -0.945 . . . . 0.0 110.408 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.53 43.6 3.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.135 -0.978 . . . . 0.0 110.216 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -150.06 -28.27 0.24 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.117 -0.989 . . . . 0.0 111.618 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 14.5 ptmm? -54.16 -17.46 2.82 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.169 -0.957 . . . . 0.0 110.624 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -78.01 0.11 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.069 -1.02 . . . . 0.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.2 mm -72.96 -20.81 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 111.088 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -23.57 65.58 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' A' ' 6' ' ' LYS . 10.7 mm -89.15 47.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -1.234 . . . . 0.0 110.763 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.86 -49.56 0.01 OUTLIER Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.353 -1.403 . . . . 0.0 110.404 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -74.1 -35.69 64.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.254 . . . . 0.0 111.072 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -40.43 89.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.059 -1.026 . . . . 0.0 110.615 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.26 97.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.428 -0.795 . . . . 0.0 111.043 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.0 -56.92 9.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.091 -1.006 . . . . 0.0 110.917 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.555 ' HA ' ' CG ' ' A' ' 19' ' ' LYS . 1.3 p -55.27 -16.74 3.61 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.701 -0.624 . . . . 0.0 110.573 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.64 -39.76 30.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 110.131 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -0.51 55.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.268 -0.895 . . . . 0.0 110.364 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -126.99 2.25 6.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.424 ' HB2' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -158.27 -37.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.973 -1.08 . . . . 0.0 110.023 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.209 0.528 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.58 142.18 41.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -133.16 63.11 1.64 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 110.746 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.57 49.76 1.04 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.207 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.499 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.4 m-85 -58.0 -35.36 71.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.415 -0.803 . . . . 0.0 110.655 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -21.48 0.74 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.477 -0.765 . . . . 0.0 110.408 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -74.19 -11.86 60.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.171 -0.955 . . . . 0.0 110.381 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 5' ' ' PHE . 62.0 mt -63.57 -36.17 75.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.812 . . . . 0.0 110.355 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.95 -31.49 0.05 OUTLIER Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mp -99.69 54.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -1.155 . . . . 0.0 109.8 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.2 -43.63 0.23 Allowed Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.886 -1.15 . . . . 0.0 110.462 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -76.2 -24.22 54.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.899 -1.354 . . . . 0.0 110.386 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 t80 -64.02 -44.18 93.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.122 -0.986 . . . . 0.0 109.459 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.0 mt -52.67 -42.11 64.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 109.873 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' LYS . 57.6 t-80 -53.78 -63.11 1.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 122.026 0.917 . . . . 0.0 109.876 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -44.93 -25.63 0.33 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.574 0.702 . . . . 0.0 109.979 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.51 -29.75 37.29 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.526 -0.734 . . . . 0.0 109.819 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -70.95 -15.75 62.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.102 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 7.7 tptp -136.16 4.53 2.96 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.405 -0.81 . . . . 0.0 110.45 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -165.18 29.83 0.06 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 109.982 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 3' ' ' LYS . 5.6 mmpt? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.171 0.51 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 tt -48.44 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 110.158 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -134.48 66.23 1.54 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.196 -0.94 . . . . 0.0 110.409 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 37.4 tp -91.36 10.72 26.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -119.82 -49.89 2.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 0.0 110.698 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -32.99 74.76 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.494 -0.754 . . . . 0.0 110.172 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -74.3 -2.78 26.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.0 110.268 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 8' ' ' ILE . 25.9 mm -81.25 -60.37 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.928 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 4.25 47.03 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 8' ' ' ILE . 4.7 mt -117.44 -20.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.135 -1.215 . . . . 0.0 110.482 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -61.37 -21.21 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -33.47 31.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.134 -1.215 . . . . 0.0 110.299 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.84 73.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.83 -16.29 26.96 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.856 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 1.6 t-80 -73.87 -40.94 62.87 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.195 -0.941 . . . . 0.0 109.846 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -29.0 25.97 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.764 0.792 . . . . 0.0 109.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.39 30.78 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.619 -0.676 . . . . 0.0 109.654 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -78.64 0.36 26.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.386 -0.821 . . . . 0.0 109.846 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -111.64 -19.56 12.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.831 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -146.58 -34.63 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 109.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.124 0.488 . . . . 0.0 110.06 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 13.5 tp -177.95 110.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.305 -0.872 . . . . 0.0 110.31 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.04 26.36 0.54 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.216 -0.927 . . . . 0.0 110.413 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.94 15.08 17.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.187 -0.946 . . . . 0.0 110.047 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' ILE . 2.8 m-85 -100.25 -28.39 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.396 -0.815 . . . . 0.0 110.195 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -41.25 -28.55 0.11 Allowed 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.775 -0.578 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' PHE . 29.5 tttt -81.35 6.21 15.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.12 -0.987 . . . . 0.0 110.801 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -109.45 -4.97 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.14 -0.975 . . . . 0.0 109.796 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.14 60.75 0.37 Allowed Glycine 0 N--CA 1.486 2.029 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.444 HD12 HG23 ' A' ' 10' ' ' ILE . 76.3 mt -45.87 -23.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.256 -1.144 . . . . 0.0 110.111 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.35 -60.63 7.95 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 16' ' ' SER . 0.0 OUTLIER -57.21 -27.3 61.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.234 -1.156 . . . . 0.0 110.089 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -41.22 43.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.47 -47.82 53.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.218 -0.927 . . . . 0.0 110.054 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -59.19 -49.65 77.03 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.27 -0.894 . . . . 0.0 109.689 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 20' ' ' PHE . 2.0 t -57.18 -17.3 10.58 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.552 0.692 . . . . 0.0 109.804 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.76 -35.45 38.67 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.59 -0.694 . . . . 0.0 109.737 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -72.48 -22.22 61.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.28 -0.887 . . . . 0.0 109.865 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.38 -2.04 11.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.587 -0.696 . . . . 0.0 109.837 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' HB3' ' O ' ' A' ' 16' ' ' SER . 1.1 t80 -158.97 17.64 0.18 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 110.076 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.237 0.541 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.86 138.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 110.158 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -136.69 9.56 3.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.174 -0.953 . . . . 0.0 110.407 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.452 HD21 ' HG3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -113.26 25.57 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.195 -0.94 . . . . 0.0 110.114 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.486 ' O ' ' HA3' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -70.91 -22.7 62.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.356 -0.84 . . . . 0.0 110.512 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.42 -25.66 66.86 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.477 -0.765 . . . . 0.0 110.053 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -62.29 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.388 -0.82 . . . . 0.0 110.197 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 mt -78.29 -34.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.537 -0.727 . . . . 0.0 110.231 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 5' ' ' PHE . . . -47.11 -37.34 10.25 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 66.2 mt -131.41 39.37 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.117 -1.225 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.6 -31.94 0.86 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.53 -41.55 21.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -1.115 . . . . 0.0 110.47 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.479 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -65.28 -23.25 66.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.86 . . . . 0.0 110.719 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -57.01 14.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.232 -0.918 . . . . 0.0 111.197 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -46.29 88.42 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.113 -0.992 . . . . 0.0 110.294 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.479 ' OG ' ' HA ' ' A' ' 13' ' ' PHE . 4.2 p -62.04 -11.81 15.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -102.16 -33.35 9.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -70.1 -11.51 60.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.531 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -131.87 -10.81 3.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.499 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 16' ' ' SER . 6.8 m-85 -145.57 9.79 1.21 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.004 -1.06 . . . . 0.0 109.689 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.439 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.289 0.566 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 2.9 mt -66.7 95.5 0.35 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.321 -0.862 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 2' ' ' LEU . 2.1 mttt -162.45 24.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.256 -0.903 . . . . 0.0 110.211 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.4 tt -111.7 1.9 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 0.0 110.269 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.04 -24.4 40.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.183 -0.948 . . . . 0.0 110.026 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' O ' HD11 ' A' ' 10' ' ' ILE . 12.6 mttm -49.54 -22.8 1.35 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 110.109 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -13.76 23.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.2 mt -104.5 -7.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.38 45.71 2.4 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 HD11 ' O ' ' A' ' 6' ' ' LYS . 5.3 mt -132.03 4.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.81 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.16 -39.82 0.1 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.114 -1.595 . . . . 0.0 109.114 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -38.6 87.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.468 -1.019 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.192 -0.942 . . . . 0.0 110.295 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -33.5 75.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.112 -0.992 . . . . 0.0 109.854 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.38 -60.46 2.94 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.102 0.953 . . . . 0.0 109.702 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 21.3 p -54.75 -17.91 4.06 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.62 0.724 . . . . 0.0 109.855 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.6 -13.88 31.18 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.296 -0.877 . . . . 0.0 109.659 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -20.28 29.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -150.44 20.34 0.83 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.389 -0.819 . . . . 0.0 110.745 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -146.25 -24.2 0.44 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.246 0 O-C-N 119.651 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.4 OUTLIER 67.56 75.42 0.29 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.691 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 38.02 2.55 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.227 -0.921 . . . . 0.0 109.796 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -162.67 -35.27 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.292 -0.88 . . . . 0.0 110.416 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -20.38 60.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.254 -0.904 . . . . 0.0 110.243 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -30.15 67.3 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.606 -0.684 . . . . 0.0 110.643 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.6 7.31 17.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 110.315 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.8 mt -106.6 -14.91 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.907 . . . . 0.0 110.451 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.12 -11.65 67.44 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' ILE . 28.0 mt -116.21 -5.41 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.095 -1.238 . . . . 0.0 110.657 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.66 -41.99 33.5 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.75 -12.83 26.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -1.135 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -50.52 31.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.107 -0.995 . . . . 0.0 110.118 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.52 -34.54 71.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.984 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -63.36 -64.98 0.75 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -49.52 -21.53 0.99 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.495 0.664 . . . . 0.0 110.36 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.05 -57.83 3.62 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.52 -0.738 . . . . 0.0 109.768 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -84.37 8.86 14.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.42 -0.8 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.9 tptt -133.18 3.79 3.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.942 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.66 26.91 0.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.111 -0.993 . . . . 0.0 109.77 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 3.4 mp 56.3 94.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -165.01 33.64 0.06 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' CG ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -158.48 50.4 0.39 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.024 -1.048 . . . . 0.0 110.614 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -147.94 -83.61 0.11 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 0.0 110.283 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 13.6 mttt -57.26 -16.79 9.25 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.378 -0.826 . . . . 0.0 110.221 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 11' ' ' GLY . 2.0 pptp? -75.73 -13.44 60.31 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.26 -0.9 . . . . 0.0 110.66 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 5' ' ' PHE . 93.7 mt -50.38 -36.06 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.374 -0.829 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.28 -34.37 3.17 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 119.718 -1.23 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 11' ' ' GLY . 2.8 mp -89.17 -31.58 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.191 -1.182 . . . . 0.0 110.645 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -43.17 -63.95 1.89 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -59.7 -22.43 62.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.202 -1.175 . . . . 0.0 110.633 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -51.93 13.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.987 . . . . 0.0 110.508 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -35.45 74.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.111 -0.993 . . . . 0.0 110.104 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.09 -53.93 15.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 11.6 t -54.98 -45.99 75.07 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.708 0.766 . . . . 0.0 109.833 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.73 72.02 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.346 -0.846 . . . . 0.0 109.376 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -84.81 -0.64 54.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 0.0 109.841 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.32 50.45 0.34 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.524 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' SER . 9.8 t80 -161.68 22.1 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 110.048 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.236 0.541 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.86 54.84 1.87 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.935 . . . . 0.0 110.124 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -103.12 58.42 0.76 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.365 -0.835 . . . . 0.0 109.391 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.27 47.92 0.96 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.65 -0.656 . . . . 0.0 110.321 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -100.71 -64.35 1.05 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.434 -0.791 . . . . 0.0 110.163 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.43 -12.96 60.04 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.66 -0.65 . . . . 0.0 110.209 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.78 1.96 15.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.917 . . . . 0.0 110.25 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 5' ' ' PHE . 30.0 mt -74.79 -51.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 110.011 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 48.76 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -132.13 15.23 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.157 -1.202 . . . . 0.0 110.036 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -45.63 -56.26 6.58 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.86 -48.75 20.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -1.191 . . . . 0.0 110.548 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -44.45 96.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.083 -1.011 . . . . 0.0 109.653 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.515 ' N ' HD21 ' A' ' 14' ' ' LEU . 2.6 mm? -68.23 -30.15 69.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.452 -0.78 . . . . 0.0 109.766 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -72.91 -53.3 11.7 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.4 -0.813 . . . . 0.0 110.258 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -51.91 -33.61 37.85 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.547 0.689 . . . . 0.0 110.432 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.92 64.48 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -74.67 -7.77 54.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.241 -0.912 . . . . 0.0 110.239 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -123.45 -22.51 5.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.028 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -139.46 0.69 1.89 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.912 . . . . 0.0 109.927 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.1 140.99 21.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.892 . . . . 0.0 110.068 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.25 3.09 4.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 110.037 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 63.28 0.96 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.245 -0.909 . . . . 0.0 109.834 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -23.42 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.356 -0.84 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -70.65 -26.69 63.57 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.684 -0.635 . . . . 0.0 109.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -66.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.401 -0.812 . . . . 0.0 111.189 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.25 -41.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 O-C-N 121.716 -0.615 . . . . 0.0 110.691 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.47 31.67 8.2 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -60.84 -14.56 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -1.098 . . . . 0.0 110.409 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . -64.79 -52.64 40.53 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 mptt -42.63 -28.6 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -1.179 . . . . 0.0 110.421 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -38.2 27.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 110.378 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.15 -25.31 58.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.527 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 -49.11 25.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 109.614 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -57.94 -17.73 18.82 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.764 0.793 . . . . 0.0 109.637 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' NH2 . . . -86.4 -41.14 14.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.602 -0.686 . . . . 0.0 109.978 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.0 -6.96 36.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.32 -0.863 . . . . 0.0 110.03 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -115.35 -13.49 11.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.428 -0.795 . . . . 0.0 109.825 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -143.1 -33.62 0.44 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.355 -0.84 . . . . 0.0 109.813 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.978 -1.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.328 0.585 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -135.32 -177.48 4.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 110.081 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -103.4 54.06 0.76 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -152.79 73.34 1.0 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.201 -0.937 . . . . 0.0 110.528 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -74.75 -89.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.144 -0.973 . . . . 0.0 110.321 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -53.15 -17.97 1.94 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.827 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -64.62 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.52 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 4' ' ' LEU . 2.7 mt -84.6 -10.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.388 -0.82 . . . . 0.0 110.71 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.56 -47.56 1.11 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.93 45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -1.149 . . . . 0.0 110.192 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.72 -39.73 1.28 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.99 -14.03 20.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.438 -1.036 . . . . 0.0 109.834 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -27.73 63.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.69 -35.59 29.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.221 -0.924 . . . . 0.0 110.569 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -62.32 -57.64 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 110.495 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 t -50.25 -20.42 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.421 0.629 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.45 -53.88 6.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.196 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -54.18 -18.97 4.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.36 -35.26 21.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.717 -0.614 . . . . 0.0 110.029 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 3.4 m-85 -149.36 -35.25 0.18 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.912 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.7 mttt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.237 0.541 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.92 58.86 0.67 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 110.351 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -144.32 10.37 1.47 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.48 52.15 0.76 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.226 -0.921 . . . . 0.0 110.532 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.04 -21.73 8.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.262 -0.899 . . . . 0.0 109.95 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -85.35 -9.4 57.67 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.701 -0.624 . . . . 0.0 110.307 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -82.63 -10.84 58.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.47 -23.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.269 -0.894 . . . . 0.0 109.064 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.04 -41.97 0.8 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.1 mt -79.11 -29.63 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -1.07 . . . . 0.0 109.683 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . -73.92 -48.96 14.61 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' OG ' ' A' ' 16' ' ' SER . 18.1 ttpp -42.23 -39.64 2.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -1.055 . . . . 0.0 109.936 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -29.22 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.236 -0.915 . . . . 0.0 109.429 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 2.4 tp -93.71 -49.19 5.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -47.57 -59.63 3.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 12' ' ' LYS . 16.3 p -55.34 -18.99 7.51 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.708 0.766 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 14' ' ' LEU . . . -75.94 -31.12 58.94 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.589 -0.695 . . . . 0.0 110.084 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 -21.94 33.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.891 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.7 ttpt -90.74 -10.63 42.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.564 -0.71 . . . . 0.0 109.729 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 6.0 t80 -128.68 -28.69 2.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.378 -0.826 . . . . 0.0 109.241 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.296 0.569 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.7 79.73 0.43 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.24 -0.912 . . . . 0.0 110.272 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 28.54 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 110.101 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -157.96 81.78 0.86 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.844 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.463 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -164.45 -34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.318 -0.864 . . . . 0.0 110.685 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -42.74 83.87 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.435 -0.79 . . . . 0.0 110.368 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 4.57 18.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.538 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 5' ' ' PHE . 9.7 mt -86.94 -34.08 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.273 -0.892 . . . . 0.0 110.423 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.45 50.71 0.08 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 20.4 mt -105.67 -33.5 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -1.147 . . . . 0.0 110.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -31.29 80.42 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -29.0 68.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -1.154 . . . . 0.0 110.172 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.55 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.947 . . . . 0.0 109.894 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -66.82 -20.68 65.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 110.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -79.36 -60.33 2.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -63.08 -11.22 18.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.388 0.613 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 13' ' ' PHE . . . -90.73 -40.47 11.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.487 -0.758 . . . . 0.0 110.073 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -79.71 -8.45 59.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -128.64 1.24 5.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.462 -0.774 . . . . 0.0 110.074 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.25 21.07 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.268 -0.895 . . . . 0.0 109.869 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.4 -34.23 1.94 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -1.078 . . . . 0.0 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.59 -50.95 55.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.628 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.11 -26.37 64.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.381 -0.824 . . . . 0.0 109.9 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 18' ' ' LYS . 48.2 t-80 -73.92 -57.15 4.17 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.924 0.868 . . . . 0.0 110.566 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' HIS . 2.7 t -42.73 -31.7 0.51 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.788 0.804 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.54 -27.39 25.61 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.395 0.617 . . . . 0.0 109.897 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' HIS . 25.9 tttt -58.8 -24.37 61.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 110.38 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 -1.04 7.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 0.0 110.723 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.97 . . . . 0.0 110.041 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.513 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -28.94 57.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -1.168 . . . . 0.0 109.975 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -27.79 66.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.428 -0.795 . . . . 0.0 110.072 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -74.39 -58.36 3.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.8 t60 -49.87 -63.67 1.04 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 p -47.42 -24.08 0.73 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.632 0.73 . . . . 0.0 109.8 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -88.81 -24.72 22.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.591 -0.693 . . . . 0.0 109.443 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' HIS . 27.3 ttpt -78.81 -4.1 47.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.462 -0.774 . . . . 0.0 109.723 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -111.46 -38.38 4.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.396 -0.815 . . . . 0.0 109.487 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -30.98 14.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.288 -1.125 . . . . 0.0 110.853 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -25.21 3.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.16 -0.963 . . . . 0.0 109.478 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.53 -47.07 64.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.486 -0.759 . . . . 0.0 110.141 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.55 -65.21 0.67 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -42.81 14.62 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.883 0.849 . . . . 0.0 109.571 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.17 81.81 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.737 -0.602 . . . . 0.0 109.546 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -75.91 -10.84 59.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 24.4 tttp -98.37 -7.28 29.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.648 -0.657 . . . . 0.0 109.648 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.335 -0.853 . . . . 0.0 109.76 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -24.03 66.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.484 -1.01 . . . . 0.0 110.951 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -65.15 -47.64 76.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.055 -1.028 . . . . 0.0 110.033 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.06 -22.73 64.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.215 -0.928 . . . . 0.0 109.258 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -83.63 -65.0 1.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.667 0.746 . . . . 0.0 110.17 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 2.0 t -46.96 -36.36 7.62 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.504 0.668 . . . . 0.0 110.493 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.81 61.58 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.529 -0.732 . . . . 0.0 110.403 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.43 3.52 27.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.017 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -134.17 4.01 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.094 -1.004 . . . . 0.0 111.04 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.2 t80 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 120.969 -1.082 . . . . 0.0 110.454 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -66.66 -27.46 67.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.178 -1.189 . . . . 0.0 110.414 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -35.78 62.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 109.617 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.14 -26.02 31.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 110.067 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -55.01 -68.46 0.19 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.474 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -15.4 46.04 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.481 0.658 . . . . 0.0 110.461 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.77 -34.15 45.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -86.12 -20.54 28.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 110.375 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 3.94 28.28 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.555 -0.715 . . . . 0.0 109.767 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -55.5 -50.55 69.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -1.203 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -76.64 -51.09 12.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.451 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -44.57 -46.92 10.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 110.532 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -69.64 -68.79 0.39 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -47.99 -29.42 3.44 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.575 0.703 . . . . 0.0 110.361 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -62.0 -46.23 90.11 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.562 -0.711 . . . . 0.0 109.568 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -81.25 -3.97 54.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -108.16 4.96 25.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.49 -0.756 . . . . 0.0 109.87 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' SER . 1.8 t80 . . . . . 0 N--CA 1.488 1.436 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -28.51 65.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.227 -1.161 . . . . 0.0 110.731 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -32.11 71.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 110.066 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' A' ' 14' ' ' LEU . 13.7 tp -76.06 -42.36 47.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 28.3 t-80 -56.46 -47.92 78.17 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.102 0.953 . . . . 0.0 109.553 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.13 -62.84 1.09 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.765 0.793 . . . . 0.0 109.784 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -6.93 30.08 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.759 -0.588 . . . . 0.0 110.025 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.92 -16.94 54.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 110.034 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 19.6 mmtt -110.91 -22.42 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.475 -0.765 . . . . 0.0 110.161 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 109.671 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -74.1 -35.69 64.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.254 . . . . 0.0 111.072 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -40.43 89.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.059 -1.026 . . . . 0.0 110.615 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.26 97.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.428 -0.795 . . . . 0.0 111.043 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.0 -56.92 9.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.091 -1.006 . . . . 0.0 110.917 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.596 ' HA ' ' CG ' ' A' ' 19' ' ' LYS . 1.3 p -55.27 -16.74 3.61 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.701 -0.624 . . . . 0.0 110.573 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.64 -39.76 30.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 110.131 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -0.51 55.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.268 -0.895 . . . . 0.0 110.364 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -126.99 2.25 6.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.973 -1.08 . . . . 0.0 110.023 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -76.2 -24.22 54.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.899 -1.354 . . . . 0.0 110.386 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 t80 -64.02 -44.18 93.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.122 -0.986 . . . . 0.0 109.459 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 24.0 mt -52.67 -42.11 64.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 109.873 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' LYS . 57.6 t-80 -53.78 -63.11 1.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 122.026 0.917 . . . . 0.0 109.876 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -44.93 -25.63 0.33 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.574 0.702 . . . . 0.0 109.979 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -80.51 -29.75 37.29 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.526 -0.734 . . . . 0.0 109.819 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -70.95 -15.75 62.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.102 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 7.7 tptp -136.16 4.53 2.96 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.405 -0.81 . . . . 0.0 110.45 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 109.982 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -33.47 31.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.134 -1.215 . . . . 0.0 110.299 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.84 73.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.83 -16.29 26.96 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.856 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 1.6 t-80 -73.87 -40.94 62.87 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.195 -0.941 . . . . 0.0 109.846 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -29.0 25.97 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.764 0.792 . . . . 0.0 109.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.39 30.78 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.619 -0.676 . . . . 0.0 109.654 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -78.64 0.36 26.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.386 -0.821 . . . . 0.0 109.846 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -111.64 -19.56 12.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.831 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 109.906 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 16' ' ' SER . 0.0 OUTLIER -57.21 -27.3 61.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.234 -1.156 . . . . 0.0 110.089 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -41.22 43.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 36.9 tp -71.47 -47.82 53.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.218 -0.927 . . . . 0.0 110.054 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -59.19 -49.65 77.03 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.27 -0.894 . . . . 0.0 109.689 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 20' ' ' PHE . 2.0 t -57.18 -17.3 10.58 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.552 0.692 . . . . 0.0 109.804 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -79.76 -35.45 38.67 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.59 -0.694 . . . . 0.0 109.737 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -72.48 -22.22 61.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.28 -0.887 . . . . 0.0 109.865 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.38 -2.04 11.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.587 -0.696 . . . . 0.0 109.837 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HB3' ' O ' ' A' ' 16' ' ' SER . 1.1 t80 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 110.076 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.53 -41.55 21.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -1.115 . . . . 0.0 110.47 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -65.28 -23.25 66.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.86 . . . . 0.0 110.719 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -57.01 14.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.232 -0.918 . . . . 0.0 111.197 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -46.29 88.42 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.113 -0.992 . . . . 0.0 110.294 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.539 ' OG ' ' HA ' ' A' ' 13' ' ' PHE . 4.2 p -62.04 -11.81 15.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.16 -33.35 9.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -70.1 -11.51 60.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.531 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -131.87 -10.81 3.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.499 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 16' ' ' SER . 6.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.004 -1.06 . . . . 0.0 109.689 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.114 -1.595 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -38.6 87.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.468 -1.019 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.192 -0.942 . . . . 0.0 110.295 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -33.5 75.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.112 -0.992 . . . . 0.0 109.854 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.38 -60.46 2.94 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.102 0.953 . . . . 0.0 109.702 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 21.3 p -54.75 -17.91 4.06 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.62 0.724 . . . . 0.0 109.855 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.6 -13.88 31.18 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.296 -0.877 . . . . 0.0 109.659 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -20.28 29.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -150.44 20.34 0.83 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.389 -0.819 . . . . 0.0 110.745 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.75 -12.83 26.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -1.135 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -50.52 31.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.107 -0.995 . . . . 0.0 110.118 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.3 tt -58.52 -34.54 71.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.984 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -63.36 -64.98 0.75 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -49.52 -21.53 0.99 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.495 0.664 . . . . 0.0 110.36 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -77.05 -57.83 3.62 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.52 -0.738 . . . . 0.0 109.768 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -84.37 8.86 14.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.42 -0.8 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.9 tptt -133.18 3.79 3.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.942 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.111 -0.993 . . . . 0.0 109.77 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -59.7 -22.43 62.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.202 -1.175 . . . . 0.0 110.633 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -51.93 13.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.987 . . . . 0.0 110.508 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.81 -35.45 74.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.111 -0.993 . . . . 0.0 110.104 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.09 -53.93 15.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 11.6 t -54.98 -45.99 75.07 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.708 0.766 . . . . 0.0 109.833 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.73 72.02 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.346 -0.846 . . . . 0.0 109.376 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -84.81 -0.64 54.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 0.0 109.841 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.32 50.45 0.34 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.524 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' SER . 9.8 t80 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 110.048 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.86 -48.75 20.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -1.191 . . . . 0.0 110.548 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -44.45 96.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.083 -1.011 . . . . 0.0 109.653 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.6 mm? -68.23 -30.15 69.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.452 -0.78 . . . . 0.0 109.766 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -72.91 -53.3 11.7 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.4 -0.813 . . . . 0.0 110.258 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -51.91 -33.61 37.85 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.547 0.689 . . . . 0.0 110.432 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.92 64.48 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -74.67 -7.77 54.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.241 -0.912 . . . . 0.0 110.239 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -123.45 -22.51 5.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.028 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.912 . . . . 0.0 109.927 179.738 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 mptt -42.63 -28.6 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -1.179 . . . . 0.0 110.421 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -38.2 27.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 110.378 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.15 -25.31 58.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.527 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 -49.11 25.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 109.614 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -57.94 -17.73 18.82 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.764 0.793 . . . . 0.0 109.637 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.4 -41.14 14.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.602 -0.686 . . . . 0.0 109.978 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.0 -6.96 36.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.32 -0.863 . . . . 0.0 110.03 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -115.35 -13.49 11.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.428 -0.795 . . . . 0.0 109.825 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.355 -0.84 . . . . 0.0 109.813 179.624 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.99 -14.03 20.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.438 -1.036 . . . . 0.0 109.834 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -27.73 63.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -81.69 -35.59 29.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.221 -0.924 . . . . 0.0 110.569 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -62.32 -57.64 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 110.495 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 t -50.25 -20.42 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.421 0.629 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -79.45 -53.88 6.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.196 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -54.18 -18.97 4.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.36 -35.26 21.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.717 -0.614 . . . . 0.0 110.029 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 3.4 m-85 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.912 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' OG ' ' A' ' 16' ' ' SER . 18.1 ttpp -42.23 -39.64 2.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -1.055 . . . . 0.0 109.936 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -29.22 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.236 -0.915 . . . . 0.0 109.429 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.789 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.4 tp -93.71 -49.19 5.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -47.57 -59.63 3.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 12' ' ' LYS . 16.3 p -55.34 -18.99 7.51 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.708 0.766 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -75.94 -31.12 58.94 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.589 -0.695 . . . . 0.0 110.084 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 -21.94 33.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.891 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.7 ttpt -90.74 -10.63 42.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.564 -0.71 . . . . 0.0 109.729 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 6.0 t80 . . . . . 0 N--CA 1.487 1.403 0 O-C-N 121.378 -0.826 . . . . 0.0 109.241 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -29.0 68.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -1.154 . . . . 0.0 110.172 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.947 . . . . 0.0 109.894 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -66.82 -20.68 65.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 110.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -79.36 -60.33 2.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -63.08 -11.22 18.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.388 0.613 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.73 -40.47 11.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.487 -0.758 . . . . 0.0 110.073 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -79.71 -8.45 59.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -128.64 1.24 5.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.462 -0.774 . . . . 0.0 110.074 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.268 -0.895 . . . . 0.0 109.869 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.298 0.571 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.53 172.68 12.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 0.0 110.104 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 3' ' ' LYS . 1.6 tmtt? -120.08 59.68 0.88 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.208 -0.932 . . . . 0.0 110.048 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -49.24 -19.72 0.52 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.305 -0.872 . . . . 0.0 110.614 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.551 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 3.6 m-85 -45.3 -32.64 2.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.042 -1.036 . . . . 0.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HG3' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -70.35 -23.71 62.85 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.179 0.514 . . . . 0.0 110.241 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.89 -20.32 2.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.056 -1.027 . . . . 0.0 110.287 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mt -99.88 -11.67 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 109.596 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.48 -12.54 55.8 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 7' ' ' LYS . 23.1 mt -86.85 35.38 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -1.168 . . . . 0.0 110.253 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.13 -68.16 1.09 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.4 -34.23 1.94 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -1.078 . . . . 0.0 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.59 -50.95 55.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.628 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.11 -26.37 64.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.381 -0.824 . . . . 0.0 109.9 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 18' ' ' LYS . 48.2 t-80 -73.92 -57.15 4.17 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.924 0.868 . . . . 0.0 110.566 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' HIS . 2.7 t -42.73 -31.7 0.51 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.788 0.804 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -85.54 -27.39 25.61 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.395 0.617 . . . . 0.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' HIS . 25.9 tttt -58.8 -24.37 61.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 110.38 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 -1.04 7.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 0.0 110.723 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.39 21.07 0.23 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.97 . . . . 0.0 110.041 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.567 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.335 0.588 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 4' ' ' LEU . 1.5 mp -64.13 153.21 38.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.1 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 44.39 1.03 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.196 -0.94 . . . . 0.0 110.382 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.499 HD12 HD23 ' A' ' 2' ' ' LEU . 25.6 mt -109.73 8.22 24.6 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 110.015 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -46.89 -48.19 21.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.434 -0.791 . . . . 0.0 111.162 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -84.06 -14.64 50.02 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.617 -0.677 . . . . 0.0 110.918 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 6.35 26.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.976 -1.077 . . . . 0.0 110.715 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 4' ' ' LEU . 13.0 mm -76.81 -49.38 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.108 -0.995 . . . . 0.0 110.327 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.66 -26.17 38.35 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.705 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.0 mp -108.52 45.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.219 -1.165 . . . . 0.0 110.269 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.513 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -93.56 -46.08 3.3 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -28.94 57.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -1.168 . . . . 0.0 109.975 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -27.79 66.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.428 -0.795 . . . . 0.0 110.072 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -74.39 -58.36 3.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.8 t60 -49.87 -63.67 1.04 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 p -47.42 -24.08 0.73 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.632 0.73 . . . . 0.0 109.8 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -88.81 -24.72 22.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.591 -0.693 . . . . 0.0 109.443 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' HIS . 27.3 ttpt -78.81 -4.1 47.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.462 -0.774 . . . . 0.0 109.723 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -111.46 -38.38 4.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.66 -0.89 3.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.396 -0.815 . . . . 0.0 109.487 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.159 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.222 0.534 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.12 120.07 41.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.241 -0.912 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.661 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.5 ttmp? -123.42 7.62 9.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.027 -1.046 . . . . 0.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 3' ' ' LYS . 4.9 mp -146.17 49.25 1.19 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.171 -0.956 . . . . 0.0 110.159 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.47 -47.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 111.017 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -24.8 25.26 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.62 -0.675 . . . . 0.0 110.591 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -7.53 21.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.194 -0.941 . . . . 0.0 110.723 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' HB ' ' CD1' ' A' ' 10' ' ' ILE . 10.0 mm -82.45 -31.57 9.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.295 -0.878 . . . . 0.0 110.381 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.1 61.16 1.68 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 2.3 mp -94.94 -11.4 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.193 -1.18 . . . . 0.0 110.04 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.08 -66.16 2.97 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -30.98 14.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.288 -1.125 . . . . 0.0 110.853 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -50.58 -25.21 3.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.16 -0.963 . . . . 0.0 109.478 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.53 -47.07 64.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.486 -0.759 . . . . 0.0 110.141 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.55 -65.21 0.67 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -42.81 14.62 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.883 0.849 . . . . 0.0 109.571 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.17 81.81 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.737 -0.602 . . . . 0.0 109.546 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -75.91 -10.84 59.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 24.4 tttp -98.37 -7.28 29.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.648 -0.657 . . . . 0.0 109.648 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.5 -0.95 2.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.335 -0.853 . . . . 0.0 109.76 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.403 0 O-C-N 120.098 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.236 0.541 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 mp -83.21 127.11 33.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.67 70.89 1.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.772 . . . . 0.0 109.244 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.35 15.67 6.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.439 -0.788 . . . . 0.0 111.683 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -84.68 -52.16 6.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.797 -1.189 . . . . 0.0 110.161 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -26.74 5.67 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.262 0.553 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -8.16 32.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.216 -0.928 . . . . 0.0 110.249 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 mt -113.03 -8.5 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.441 -0.787 . . . . 0.0 110.118 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -55.83 10.64 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 HG23 ' A' ' 10' ' ' ILE . 38.6 mm -55.98 -19.71 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -1.126 . . . . 0.0 110.455 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.63 -51.45 2.88 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -24.03 66.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.484 -1.01 . . . . 0.0 110.951 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -65.15 -47.64 76.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.055 -1.028 . . . . 0.0 110.033 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.06 -22.73 64.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.215 -0.928 . . . . 0.0 109.258 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -83.63 -65.0 1.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.667 0.746 . . . . 0.0 110.17 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 2.0 t -46.96 -36.36 7.62 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.504 0.668 . . . . 0.0 110.493 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.81 61.58 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.529 -0.732 . . . . 0.0 110.403 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.43 3.52 27.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.017 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -134.17 4.01 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.094 -1.004 . . . . 0.0 111.04 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.2 t80 -141.93 -3.45 1.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.969 -1.082 . . . . 0.0 110.454 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.715 -1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 18.7 mtpt . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.399 0.619 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.6 OUTLIER 67.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.142 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 2' ' ' LEU . 7.1 mtmt -152.83 39.79 0.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.051 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.558 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -46.16 -48.41 17.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.259 -0.901 . . . . 0.0 110.628 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.8 -39.17 52.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.217 -0.927 . . . . 0.0 110.922 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -78.91 4.01 15.4 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.661 -0.649 . . . . 0.0 111.295 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 12.2 mmtt -71.75 -15.57 62.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.089 -1.007 . . . . 0.0 109.695 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 8' ' ' ILE . 7.9 mt -87.12 -6.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.762 -0.586 . . . . 0.0 110.953 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 13.95 60.56 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 10' ' ' ILE . 25.1 mt -69.9 -47.82 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -1.177 . . . . 0.0 110.217 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.26 -24.91 32.68 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -66.66 -27.46 67.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.178 -1.189 . . . . 0.0 110.414 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -35.78 62.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 109.617 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.14 -26.02 31.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 110.067 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -55.01 -68.46 0.19 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.474 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -15.4 46.04 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.481 0.658 . . . . 0.0 110.461 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.77 -34.15 45.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -86.12 -20.54 28.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 110.375 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 3.94 28.28 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.555 -0.715 . . . . 0.0 109.767 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.12 -35.96 0.1 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 pttp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.289 0.566 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -171.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.309 -0.87 . . . . 0.0 110.665 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 12.7 mmtm -99.31 27.38 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.872 . . . . 0.0 110.302 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mp -46.21 -32.05 2.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.39 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.477 ' O ' ' CG1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.307 -0.871 . . . . 0.0 110.201 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -61.74 -16.59 50.62 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.58 -0.7 . . . . 0.0 109.571 179.663 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -80.2 -6.82 58.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 5' ' ' PHE . 11.5 mm -55.62 -28.78 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.559 -0.713 . . . . 0.0 110.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.88 -37.05 61.02 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.2 mm -86.16 46.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -1.116 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.24 -39.57 0.93 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -55.5 -50.55 69.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -1.203 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -76.64 -51.09 12.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.451 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -44.57 -46.92 10.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 110.532 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -69.64 -68.79 0.39 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -47.99 -29.42 3.44 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.575 0.703 . . . . 0.0 110.361 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -62.0 -46.23 90.11 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.562 -0.711 . . . . 0.0 109.568 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -81.25 -3.97 54.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -108.16 4.96 25.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.49 -0.756 . . . . 0.0 109.87 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' SER . 1.8 t80 -126.19 -22.64 4.03 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.42 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.251 0.548 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.21 153.45 15.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.926 . . . . 0.0 109.92 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -131.92 60.21 1.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.623 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.91 18.6 5.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.151 -0.968 . . . . 0.0 109.983 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.15 -19.33 10.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.874 . . . . 0.0 110.317 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -2.34 12.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.841 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.92 1.72 22.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.126 -0.984 . . . . 0.0 110.177 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 8' ' ' ILE . 5.9 mt -118.68 -42.88 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 110.208 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.55 77.01 0.69 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -137.15 -35.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -1.131 . . . . 0.0 110.465 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.52 -66.41 2.27 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -28.51 65.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.227 -1.161 . . . . 0.0 110.731 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -32.11 71.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 110.066 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' A' ' 14' ' ' LEU . 13.7 tp -76.06 -42.36 47.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 28.3 t-80 -56.46 -47.92 78.17 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.102 0.953 . . . . 0.0 109.553 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.13 -62.84 1.09 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.765 0.793 . . . . 0.0 109.784 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.566 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -68.87 -6.93 30.08 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.759 -0.588 . . . . 0.0 110.025 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.92 -16.94 54.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 110.034 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 19.6 mmtt -110.91 -22.42 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.475 -0.765 . . . . 0.0 110.161 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 -157.52 -47.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 109.671 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.566 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.301 -1.501 0 O-C-N 120.159 -1.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.176 0.513 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' LYS . 3.3 mp 45.17 -171.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.118 -0.989 . . . . 0.0 110.15 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -126.76 8.72 6.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.188 -0.945 . . . . 0.0 110.408 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -130.53 43.6 3.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.135 -0.978 . . . . 0.0 110.216 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -150.06 -28.27 0.24 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.117 -0.989 . . . . 0.0 111.618 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 14.5 ptmm? -54.16 -17.46 2.82 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.169 -0.957 . . . . 0.0 110.624 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -78.01 0.11 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.069 -1.02 . . . . 0.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.2 mm -72.96 -20.81 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 111.088 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -23.57 65.58 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 10' ' ' ILE . 10.7 mm -89.15 47.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -1.234 . . . . 0.0 110.763 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.86 -49.56 0.01 OUTLIER Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.353 -1.403 . . . . 0.0 110.404 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -74.1 -35.69 64.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.254 . . . . 0.0 111.072 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -40.43 89.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.059 -1.026 . . . . 0.0 110.615 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.26 97.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.428 -0.795 . . . . 0.0 111.043 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.0 -56.92 9.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.091 -1.006 . . . . 0.0 110.917 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.596 ' HA ' ' CG ' ' A' ' 19' ' ' LYS . 1.3 p -55.27 -16.74 3.61 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.701 -0.624 . . . . 0.0 110.573 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.64 -39.76 30.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 110.131 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -0.51 55.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.268 -0.895 . . . . 0.0 110.364 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -126.99 2.25 6.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -158.27 -37.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.973 -1.08 . . . . 0.0 110.023 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.209 0.528 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.58 142.18 41.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -133.16 63.11 1.64 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 110.746 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -97.57 49.76 1.04 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.207 179.345 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.4 m-85 -58.0 -35.36 71.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.415 -0.803 . . . . 0.0 110.655 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -21.48 0.74 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.477 -0.765 . . . . 0.0 110.408 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.753 ' HB3' HD12 ' A' ' 4' ' ' LEU . 10.7 tppt? -74.19 -11.86 60.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.171 -0.955 . . . . 0.0 110.381 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 5' ' ' PHE . 62.0 mt -63.57 -36.17 75.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.812 . . . . 0.0 110.355 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.95 -31.49 0.05 OUTLIER Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 10' ' ' ILE . 2.8 mp -99.69 54.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -1.155 . . . . 0.0 109.8 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.2 -43.63 0.23 Allowed Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.886 -1.15 . . . . 0.0 110.462 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -76.2 -24.22 54.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.899 -1.354 . . . . 0.0 110.386 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 t80 -64.02 -44.18 93.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.122 -0.986 . . . . 0.0 109.459 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 24.0 mt -52.67 -42.11 64.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 109.873 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' LYS . 57.6 t-80 -53.78 -63.11 1.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 122.026 0.917 . . . . 0.0 109.876 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -44.93 -25.63 0.33 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.574 0.702 . . . . 0.0 109.979 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -80.51 -29.75 37.29 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.526 -0.734 . . . . 0.0 109.819 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -70.95 -15.75 62.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.102 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 7.7 tptp -136.16 4.53 2.96 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.405 -0.81 . . . . 0.0 110.45 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -165.18 29.83 0.06 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 109.982 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.409 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 3' ' ' LYS . 5.6 mmpt? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.171 0.51 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 2' ' ' LEU . 7.6 tt -48.44 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 110.158 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -134.48 66.23 1.54 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.196 -0.94 . . . . 0.0 110.409 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 37.4 tp -91.36 10.72 26.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -119.82 -49.89 2.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 0.0 110.698 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -32.99 74.76 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.494 -0.754 . . . . 0.0 110.172 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -74.3 -2.78 26.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.0 110.268 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.9 mm -81.25 -60.37 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.928 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 4.25 47.03 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mt -117.44 -20.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.135 -1.215 . . . . 0.0 110.482 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -61.37 -21.21 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -33.47 31.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.134 -1.215 . . . . 0.0 110.299 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.84 73.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.83 -16.29 26.96 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.856 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 1.6 t-80 -73.87 -40.94 62.87 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.195 -0.941 . . . . 0.0 109.846 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -29.0 25.97 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.764 0.792 . . . . 0.0 109.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.39 30.78 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.619 -0.676 . . . . 0.0 109.654 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -78.64 0.36 26.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.386 -0.821 . . . . 0.0 109.846 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -111.64 -19.56 12.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.831 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -146.58 -34.63 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 109.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.124 0.488 . . . . 0.0 110.06 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 13.5 tp -177.95 110.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.305 -0.872 . . . . 0.0 110.31 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -153.04 26.36 0.54 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.216 -0.927 . . . . 0.0 110.413 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 4' ' ' LEU . 5.6 mp -114.94 15.08 17.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.187 -0.946 . . . . 0.0 110.047 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' ILE . 2.8 m-85 -100.25 -28.39 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.396 -0.815 . . . . 0.0 110.195 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -41.25 -28.55 0.11 Allowed 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.775 -0.578 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' PHE . 29.5 tttt -81.35 6.21 15.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.12 -0.987 . . . . 0.0 110.801 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -109.45 -4.97 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.14 -0.975 . . . . 0.0 109.796 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.14 60.75 0.37 Allowed Glycine 0 N--CA 1.486 2.029 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.3 mt -45.87 -23.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.256 -1.144 . . . . 0.0 110.111 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.35 -60.63 7.95 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 16' ' ' SER . 0.0 OUTLIER -57.21 -27.3 61.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.234 -1.156 . . . . 0.0 110.089 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -41.22 43.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 36.9 tp -71.47 -47.82 53.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.218 -0.927 . . . . 0.0 110.054 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -59.19 -49.65 77.03 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.27 -0.894 . . . . 0.0 109.689 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 20' ' ' PHE . 2.0 t -57.18 -17.3 10.58 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.552 0.692 . . . . 0.0 109.804 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -79.76 -35.45 38.67 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.59 -0.694 . . . . 0.0 109.737 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -72.48 -22.22 61.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.28 -0.887 . . . . 0.0 109.865 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.38 -2.04 11.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.587 -0.696 . . . . 0.0 109.837 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HB3' ' O ' ' A' ' 16' ' ' SER . 1.1 t80 -158.97 17.64 0.18 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 110.076 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.237 0.541 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 5' ' ' PHE . 0.4 OUTLIER 62.86 138.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 110.158 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -136.69 9.56 3.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.174 -0.953 . . . . 0.0 110.407 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -113.26 25.57 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.195 -0.94 . . . . 0.0 110.114 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -70.91 -22.7 62.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.356 -0.84 . . . . 0.0 110.512 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.42 -25.66 66.86 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.477 -0.765 . . . . 0.0 110.053 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -62.29 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.388 -0.82 . . . . 0.0 110.197 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 8' ' ' ILE . 6.4 mt -78.29 -34.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.537 -0.727 . . . . 0.0 110.231 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 5' ' ' PHE . . . -47.11 -37.34 10.25 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 10' ' ' ILE . 66.2 mt -131.41 39.37 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.117 -1.225 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.6 -31.94 0.86 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.53 -41.55 21.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -1.115 . . . . 0.0 110.47 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -65.28 -23.25 66.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.86 . . . . 0.0 110.719 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -57.01 14.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.232 -0.918 . . . . 0.0 111.197 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -46.29 88.42 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.113 -0.992 . . . . 0.0 110.294 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.539 ' OG ' ' HA ' ' A' ' 13' ' ' PHE . 4.2 p -62.04 -11.81 15.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -102.16 -33.35 9.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -70.1 -11.51 60.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.531 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -131.87 -10.81 3.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.499 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 16' ' ' SER . 6.8 m-85 -145.57 9.79 1.21 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.004 -1.06 . . . . 0.0 109.689 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.489 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.289 0.566 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 2.9 mt -66.7 95.5 0.35 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.321 -0.862 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 2' ' ' LEU . 2.1 mttt -162.45 24.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.256 -0.903 . . . . 0.0 110.211 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 4' ' ' LEU . 7.4 tt -111.7 1.9 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.04 -24.4 40.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.183 -0.948 . . . . 0.0 110.026 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -49.54 -22.8 1.35 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 110.109 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -13.76 23.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.2 mt -104.5 -7.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.38 45.71 2.4 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.3 mt -132.03 4.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.81 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.16 -39.82 0.1 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.114 -1.595 . . . . 0.0 109.114 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -38.6 87.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.468 -1.019 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.192 -0.942 . . . . 0.0 110.295 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -33.5 75.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.112 -0.992 . . . . 0.0 109.854 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.38 -60.46 2.94 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.102 0.953 . . . . 0.0 109.702 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 21.3 p -54.75 -17.91 4.06 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.62 0.724 . . . . 0.0 109.855 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.6 -13.88 31.18 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.296 -0.877 . . . . 0.0 109.659 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -20.28 29.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -150.44 20.34 0.83 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.389 -0.819 . . . . 0.0 110.745 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -146.25 -24.2 0.44 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.246 0 O-C-N 119.651 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.4 OUTLIER 67.56 75.42 0.29 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.691 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 38.02 2.55 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.227 -0.921 . . . . 0.0 109.796 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.3 tt -162.67 -35.27 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.292 -0.88 . . . . 0.0 110.416 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -20.38 60.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.254 -0.904 . . . . 0.0 110.243 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -30.15 67.3 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.606 -0.684 . . . . 0.0 110.643 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.6 7.31 17.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 110.315 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.8 mt -106.6 -14.91 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.907 . . . . 0.0 110.451 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.12 -11.65 67.44 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 10' ' ' ILE . 28.0 mt -116.21 -5.41 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.095 -1.238 . . . . 0.0 110.657 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.66 -41.99 33.5 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.75 -12.83 26.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -1.135 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -50.52 31.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.107 -0.995 . . . . 0.0 110.118 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.3 tt -58.52 -34.54 71.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.984 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -63.36 -64.98 0.75 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -49.52 -21.53 0.99 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.495 0.664 . . . . 0.0 110.36 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -77.05 -57.83 3.62 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.52 -0.738 . . . . 0.0 109.768 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -84.37 8.86 14.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.42 -0.8 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.9 tptt -133.18 3.79 3.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.942 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.66 26.91 0.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.111 -0.993 . . . . 0.0 109.77 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 3.4 mp 56.3 94.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -165.01 33.64 0.06 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' CG ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -158.48 50.4 0.39 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.024 -1.048 . . . . 0.0 110.614 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.476 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -147.94 -83.61 0.11 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 0.0 110.283 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.793 ' O ' HD12 ' A' ' 10' ' ' ILE . 13.6 mttt -57.26 -16.79 9.25 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.378 -0.826 . . . . 0.0 110.221 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLY . 2.0 pptp? -75.73 -13.44 60.31 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.26 -0.9 . . . . 0.0 110.66 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' PHE . 93.7 mt -50.38 -36.06 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.374 -0.829 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.28 -34.37 3.17 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 119.718 -1.23 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.793 HD12 ' O ' ' A' ' 6' ' ' LYS . 2.8 mp -89.17 -31.58 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.191 -1.182 . . . . 0.0 110.645 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -43.17 -63.95 1.89 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -59.7 -22.43 62.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.202 -1.175 . . . . 0.0 110.633 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -51.93 13.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.987 . . . . 0.0 110.508 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.81 -35.45 74.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.111 -0.993 . . . . 0.0 110.104 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.09 -53.93 15.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 11.6 t -54.98 -45.99 75.07 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.708 0.766 . . . . 0.0 109.833 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.73 72.02 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.346 -0.846 . . . . 0.0 109.376 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -84.81 -0.64 54.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 0.0 109.841 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.32 50.45 0.34 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.524 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' SER . 9.8 t80 -161.68 22.1 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 110.048 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.236 0.541 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.86 54.84 1.87 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.935 . . . . 0.0 110.124 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -103.12 58.42 0.76 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.365 -0.835 . . . . 0.0 109.391 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 4' ' ' LEU . 1.1 mp -80.27 47.92 0.96 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.65 -0.656 . . . . 0.0 110.321 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -100.71 -64.35 1.05 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.434 -0.791 . . . . 0.0 110.163 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.43 -12.96 60.04 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.66 -0.65 . . . . 0.0 110.209 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.78 1.96 15.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.917 . . . . 0.0 110.25 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 5' ' ' PHE . 30.0 mt -74.79 -51.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 110.011 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 48.76 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.636 HG22 ' HB3' ' A' ' 13' ' ' PHE . 21.9 mt -132.13 15.23 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.157 -1.202 . . . . 0.0 110.036 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -45.63 -56.26 6.58 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.86 -48.75 20.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -1.191 . . . . 0.0 110.548 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.636 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -62.09 -44.45 96.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.083 -1.011 . . . . 0.0 109.653 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.6 mm? -68.23 -30.15 69.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.452 -0.78 . . . . 0.0 109.766 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -72.91 -53.3 11.7 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.4 -0.813 . . . . 0.0 110.258 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -51.91 -33.61 37.85 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.547 0.689 . . . . 0.0 110.432 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.92 64.48 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -74.67 -7.77 54.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.241 -0.912 . . . . 0.0 110.239 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -123.45 -22.51 5.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.028 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -139.46 0.69 1.89 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.912 . . . . 0.0 109.927 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.1 140.99 21.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.892 . . . . 0.0 110.068 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.25 3.09 4.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 110.037 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 63.28 0.96 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.245 -0.909 . . . . 0.0 109.834 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -23.42 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.356 -0.84 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -70.65 -26.69 63.57 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.684 -0.635 . . . . 0.0 109.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -66.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.401 -0.812 . . . . 0.0 111.189 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.25 -41.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 O-C-N 121.716 -0.615 . . . . 0.0 110.691 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.47 31.67 8.2 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -60.84 -14.56 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -1.098 . . . . 0.0 110.409 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . -64.79 -52.64 40.53 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 mptt -42.63 -28.6 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -1.179 . . . . 0.0 110.421 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -38.2 27.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 110.378 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.15 -25.31 58.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.527 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 -49.11 25.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 109.614 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -57.94 -17.73 18.82 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.764 0.793 . . . . 0.0 109.637 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' NH2 . . . -86.4 -41.14 14.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.602 -0.686 . . . . 0.0 109.978 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.0 -6.96 36.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.32 -0.863 . . . . 0.0 110.03 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -115.35 -13.49 11.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.428 -0.795 . . . . 0.0 109.825 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -143.1 -33.62 0.44 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.355 -0.84 . . . . 0.0 109.813 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.978 -1.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.328 0.585 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -135.32 -177.48 4.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 110.081 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -103.4 54.06 0.76 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -152.79 73.34 1.0 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.201 -0.937 . . . . 0.0 110.528 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -74.75 -89.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.144 -0.973 . . . . 0.0 110.321 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -53.15 -17.97 1.94 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.827 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -64.62 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.52 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 4' ' ' LEU . 2.7 mt -84.6 -10.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.388 -0.82 . . . . 0.0 110.71 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.56 -47.56 1.11 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.93 45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -1.149 . . . . 0.0 110.192 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.72 -39.73 1.28 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.99 -14.03 20.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.438 -1.036 . . . . 0.0 109.834 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -27.73 63.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -81.69 -35.59 29.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.221 -0.924 . . . . 0.0 110.569 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -62.32 -57.64 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 110.495 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 t -50.25 -20.42 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.421 0.629 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -79.45 -53.88 6.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.196 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -54.18 -18.97 4.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.36 -35.26 21.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.717 -0.614 . . . . 0.0 110.029 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 3.4 m-85 -149.36 -35.25 0.18 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.912 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.7 mttt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.237 0.541 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.92 58.86 0.67 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 110.351 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -144.32 10.37 1.47 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.417 HD23 ' HE2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -104.48 52.15 0.76 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.226 -0.921 . . . . 0.0 110.532 -179.675 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.04 -21.73 8.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.262 -0.899 . . . . 0.0 109.95 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.0 mmtp -85.35 -9.4 57.67 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.701 -0.624 . . . . 0.0 110.307 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' HD23 ' A' ' 4' ' ' LEU . 14.6 mtmm -82.63 -10.84 58.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.47 -23.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.269 -0.894 . . . . 0.0 109.064 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.04 -41.97 0.8 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 6' ' ' LYS . 52.1 mt -79.11 -29.63 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -1.07 . . . . 0.0 109.683 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . -73.92 -48.96 14.61 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' OG ' ' A' ' 16' ' ' SER . 18.1 ttpp -42.23 -39.64 2.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -1.055 . . . . 0.0 109.936 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -29.22 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.236 -0.915 . . . . 0.0 109.429 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.789 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.4 tp -93.71 -49.19 5.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -47.57 -59.63 3.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 12' ' ' LYS . 16.3 p -55.34 -18.99 7.51 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.708 0.766 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -75.94 -31.12 58.94 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.589 -0.695 . . . . 0.0 110.084 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 -21.94 33.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.891 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.7 ttpt -90.74 -10.63 42.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.564 -0.71 . . . . 0.0 109.729 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 6.0 t80 -128.68 -28.69 2.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.378 -0.826 . . . . 0.0 109.241 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.471 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.296 0.569 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.7 79.73 0.43 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.24 -0.912 . . . . 0.0 110.272 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 28.54 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 110.101 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.96 81.78 0.86 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.844 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.644 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -164.45 -34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.318 -0.864 . . . . 0.0 110.685 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -42.74 83.87 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.435 -0.79 . . . . 0.0 110.368 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 4.57 18.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.538 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 5' ' ' PHE . 9.7 mt -86.94 -34.08 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.273 -0.892 . . . . 0.0 110.423 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.45 50.71 0.08 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.544 HD11 ' HD1' ' A' ' 5' ' ' PHE . 20.4 mt -105.67 -33.5 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -1.147 . . . . 0.0 110.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -31.29 80.42 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -29.0 68.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -1.154 . . . . 0.0 110.172 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -59.55 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.947 . . . . 0.0 109.894 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -66.82 -20.68 65.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 110.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -79.36 -60.33 2.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -63.08 -11.22 18.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.388 0.613 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.73 -40.47 11.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.487 -0.758 . . . . 0.0 110.073 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -79.71 -8.45 59.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -128.64 1.24 5.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.462 -0.774 . . . . 0.0 110.074 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.25 21.07 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.268 -0.895 . . . . 0.0 109.869 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.4 -34.23 1.94 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -1.078 . . . . 0.0 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.59 -50.95 55.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.628 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.11 -26.37 64.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.381 -0.824 . . . . 0.0 109.9 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 18' ' ' LYS . 48.2 t-80 -73.92 -57.15 4.17 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.924 0.868 . . . . 0.0 110.566 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' HIS . 2.7 t -42.73 -31.7 0.51 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.788 0.804 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.54 -27.39 25.61 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.395 0.617 . . . . 0.0 109.897 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' HIS . 25.9 tttt -58.8 -24.37 61.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 110.38 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 -1.04 7.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 0.0 110.723 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.97 . . . . 0.0 110.041 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.513 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -28.94 57.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -1.168 . . . . 0.0 109.975 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -27.79 66.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.428 -0.795 . . . . 0.0 110.072 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -74.39 -58.36 3.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.8 t60 -49.87 -63.67 1.04 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 p -47.42 -24.08 0.73 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.632 0.73 . . . . 0.0 109.8 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -88.81 -24.72 22.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.591 -0.693 . . . . 0.0 109.443 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' HIS . 27.3 ttpt -78.81 -4.1 47.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.462 -0.774 . . . . 0.0 109.723 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -111.46 -38.38 4.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.396 -0.815 . . . . 0.0 109.487 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -30.98 14.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.288 -1.125 . . . . 0.0 110.853 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -25.21 3.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.16 -0.963 . . . . 0.0 109.478 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.53 -47.07 64.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.486 -0.759 . . . . 0.0 110.141 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.55 -65.21 0.67 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -42.81 14.62 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.883 0.849 . . . . 0.0 109.571 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.17 81.81 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.737 -0.602 . . . . 0.0 109.546 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -75.91 -10.84 59.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 24.4 tttp -98.37 -7.28 29.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.648 -0.657 . . . . 0.0 109.648 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.335 -0.853 . . . . 0.0 109.76 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -24.03 66.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.484 -1.01 . . . . 0.0 110.951 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -65.15 -47.64 76.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.055 -1.028 . . . . 0.0 110.033 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.06 -22.73 64.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.215 -0.928 . . . . 0.0 109.258 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.63 -65.0 1.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.667 0.746 . . . . 0.0 110.17 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 2.0 t -46.96 -36.36 7.62 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.504 0.668 . . . . 0.0 110.493 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.81 61.58 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.529 -0.732 . . . . 0.0 110.403 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.43 3.52 27.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.017 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -134.17 4.01 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.094 -1.004 . . . . 0.0 111.04 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.2 t80 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 120.969 -1.082 . . . . 0.0 110.454 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -66.66 -27.46 67.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.178 -1.189 . . . . 0.0 110.414 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -35.78 62.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 109.617 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.14 -26.02 31.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 110.067 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -55.01 -68.46 0.19 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.474 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -15.4 46.04 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.481 0.658 . . . . 0.0 110.461 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.77 -34.15 45.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -86.12 -20.54 28.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 110.375 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 3.94 28.28 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.555 -0.715 . . . . 0.0 109.767 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -55.5 -50.55 69.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -1.203 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -76.64 -51.09 12.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.451 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -44.57 -46.92 10.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 110.532 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -69.64 -68.79 0.39 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -47.99 -29.42 3.44 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.575 0.703 . . . . 0.0 110.361 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -62.0 -46.23 90.11 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.562 -0.711 . . . . 0.0 109.568 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -81.25 -3.97 54.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -108.16 4.96 25.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.49 -0.756 . . . . 0.0 109.87 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' SER . 1.8 t80 . . . . . 0 N--CA 1.488 1.436 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -28.51 65.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.227 -1.161 . . . . 0.0 110.731 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -32.11 71.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 110.066 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' A' ' 14' ' ' LEU . 13.7 tp -76.06 -42.36 47.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 28.3 t-80 -56.46 -47.92 78.17 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.102 0.953 . . . . 0.0 109.553 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.13 -62.84 1.09 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.765 0.793 . . . . 0.0 109.784 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -6.93 30.08 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.759 -0.588 . . . . 0.0 110.025 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.92 -16.94 54.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 110.034 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 19.6 mmtt -110.91 -22.42 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.475 -0.765 . . . . 0.0 110.161 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 109.671 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -74.1 -35.69 64.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.254 . . . . 0.0 111.072 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -40.43 89.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.059 -1.026 . . . . 0.0 110.615 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.26 97.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.428 -0.795 . . . . 0.0 111.043 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.0 -56.92 9.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.091 -1.006 . . . . 0.0 110.917 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.596 ' HA ' ' CG ' ' A' ' 19' ' ' LYS . 1.3 p -55.27 -16.74 3.61 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.701 -0.624 . . . . 0.0 110.573 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.64 -39.76 30.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 110.131 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -0.51 55.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.268 -0.895 . . . . 0.0 110.364 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -126.99 2.25 6.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.973 -1.08 . . . . 0.0 110.023 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -76.2 -24.22 54.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.899 -1.354 . . . . 0.0 110.386 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 t80 -64.02 -44.18 93.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.122 -0.986 . . . . 0.0 109.459 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 24.0 mt -52.67 -42.11 64.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 109.873 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' LYS . 57.6 t-80 -53.78 -63.11 1.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 122.026 0.917 . . . . 0.0 109.876 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -44.93 -25.63 0.33 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.574 0.702 . . . . 0.0 109.979 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -80.51 -29.75 37.29 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.526 -0.734 . . . . 0.0 109.819 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -70.95 -15.75 62.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.102 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 7.7 tptp -136.16 4.53 2.96 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.405 -0.81 . . . . 0.0 110.45 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 109.982 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -33.47 31.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.134 -1.215 . . . . 0.0 110.299 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.84 73.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.83 -16.29 26.96 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.856 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 1.6 t-80 -73.87 -40.94 62.87 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.195 -0.941 . . . . 0.0 109.846 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -29.0 25.97 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.764 0.792 . . . . 0.0 109.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.39 30.78 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.619 -0.676 . . . . 0.0 109.654 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -78.64 0.36 26.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.386 -0.821 . . . . 0.0 109.846 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -111.64 -19.56 12.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.831 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 109.906 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 16' ' ' SER . 0.0 OUTLIER -57.21 -27.3 61.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.234 -1.156 . . . . 0.0 110.089 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -41.22 43.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 36.9 tp -71.47 -47.82 53.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.218 -0.927 . . . . 0.0 110.054 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -59.19 -49.65 77.03 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.27 -0.894 . . . . 0.0 109.689 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 20' ' ' PHE . 2.0 t -57.18 -17.3 10.58 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.552 0.692 . . . . 0.0 109.804 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -79.76 -35.45 38.67 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.59 -0.694 . . . . 0.0 109.737 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -72.48 -22.22 61.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.28 -0.887 . . . . 0.0 109.865 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.38 -2.04 11.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.587 -0.696 . . . . 0.0 109.837 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HB3' ' O ' ' A' ' 16' ' ' SER . 1.1 t80 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 110.076 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.53 -41.55 21.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -1.115 . . . . 0.0 110.47 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -65.28 -23.25 66.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.86 . . . . 0.0 110.719 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -57.01 14.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.232 -0.918 . . . . 0.0 111.197 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -46.29 88.42 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.113 -0.992 . . . . 0.0 110.294 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.539 ' OG ' ' HA ' ' A' ' 13' ' ' PHE . 4.2 p -62.04 -11.81 15.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.16 -33.35 9.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -70.1 -11.51 60.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.531 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -131.87 -10.81 3.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.499 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 16' ' ' SER . 6.8 m-85 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.004 -1.06 . . . . 0.0 109.689 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.114 -1.595 . . . . 0.0 109.114 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -38.6 87.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.468 -1.019 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.192 -0.942 . . . . 0.0 110.295 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -33.5 75.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.112 -0.992 . . . . 0.0 109.854 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.38 -60.46 2.94 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.102 0.953 . . . . 0.0 109.702 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 21.3 p -54.75 -17.91 4.06 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.62 0.724 . . . . 0.0 109.855 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.6 -13.88 31.18 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.296 -0.877 . . . . 0.0 109.659 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -20.28 29.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -150.44 20.34 0.83 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.389 -0.819 . . . . 0.0 110.745 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.75 -12.83 26.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -1.135 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -50.52 31.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.107 -0.995 . . . . 0.0 110.118 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.3 tt -58.52 -34.54 71.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.984 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -63.36 -64.98 0.75 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -49.52 -21.53 0.99 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.495 0.664 . . . . 0.0 110.36 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -77.05 -57.83 3.62 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.52 -0.738 . . . . 0.0 109.768 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -84.37 8.86 14.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.42 -0.8 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.9 tptt -133.18 3.79 3.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.942 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.111 -0.993 . . . . 0.0 109.77 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -59.7 -22.43 62.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.202 -1.175 . . . . 0.0 110.633 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -51.93 13.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.987 . . . . 0.0 110.508 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.81 -35.45 74.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.111 -0.993 . . . . 0.0 110.104 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.09 -53.93 15.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 11.6 t -54.98 -45.99 75.07 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.708 0.766 . . . . 0.0 109.833 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.73 72.02 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.346 -0.846 . . . . 0.0 109.376 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -84.81 -0.64 54.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 0.0 109.841 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.32 50.45 0.34 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.524 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' SER . 9.8 t80 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 110.048 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.86 -48.75 20.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -1.191 . . . . 0.0 110.548 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -44.45 96.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.083 -1.011 . . . . 0.0 109.653 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.6 mm? -68.23 -30.15 69.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.452 -0.78 . . . . 0.0 109.766 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -72.91 -53.3 11.7 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.4 -0.813 . . . . 0.0 110.258 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -51.91 -33.61 37.85 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.547 0.689 . . . . 0.0 110.432 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.92 64.48 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -74.67 -7.77 54.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.241 -0.912 . . . . 0.0 110.239 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -123.45 -22.51 5.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.028 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.912 . . . . 0.0 109.927 179.738 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 mptt -42.63 -28.6 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -1.179 . . . . 0.0 110.421 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -38.2 27.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 110.378 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.15 -25.31 58.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.527 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 -49.11 25.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 109.614 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -57.94 -17.73 18.82 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.764 0.793 . . . . 0.0 109.637 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.4 -41.14 14.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.602 -0.686 . . . . 0.0 109.978 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.0 -6.96 36.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.32 -0.863 . . . . 0.0 110.03 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -115.35 -13.49 11.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.428 -0.795 . . . . 0.0 109.825 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.355 -0.84 . . . . 0.0 109.813 179.624 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.99 -14.03 20.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.438 -1.036 . . . . 0.0 109.834 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -27.73 63.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -81.69 -35.59 29.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.221 -0.924 . . . . 0.0 110.569 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -62.32 -57.64 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 110.495 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 t -50.25 -20.42 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.421 0.629 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -79.45 -53.88 6.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.196 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -54.18 -18.97 4.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.36 -35.26 21.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.717 -0.614 . . . . 0.0 110.029 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 3.4 m-85 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.912 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' OG ' ' A' ' 16' ' ' SER . 18.1 ttpp -42.23 -39.64 2.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -1.055 . . . . 0.0 109.936 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -29.22 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.236 -0.915 . . . . 0.0 109.429 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.789 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.4 tp -93.71 -49.19 5.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -47.57 -59.63 3.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 12' ' ' LYS . 16.3 p -55.34 -18.99 7.51 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.708 0.766 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -75.94 -31.12 58.94 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.589 -0.695 . . . . 0.0 110.084 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 -21.94 33.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.891 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.7 ttpt -90.74 -10.63 42.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.564 -0.71 . . . . 0.0 109.729 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 6.0 t80 . . . . . 0 N--CA 1.487 1.403 0 O-C-N 121.378 -0.826 . . . . 0.0 109.241 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -29.0 68.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -1.154 . . . . 0.0 110.172 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.947 . . . . 0.0 109.894 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -66.82 -20.68 65.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 110.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -79.36 -60.33 2.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -63.08 -11.22 18.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.388 0.613 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.73 -40.47 11.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.487 -0.758 . . . . 0.0 110.073 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -79.71 -8.45 59.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -128.64 1.24 5.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.462 -0.774 . . . . 0.0 110.074 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.268 -0.895 . . . . 0.0 109.869 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.298 0.571 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.53 172.68 12.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 0.0 110.104 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 3' ' ' LYS . 1.6 tmtt? -120.08 59.68 0.88 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.208 -0.932 . . . . 0.0 110.048 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -49.24 -19.72 0.52 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.305 -0.872 . . . . 0.0 110.614 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.551 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 3.6 m-85 -45.3 -32.64 2.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.042 -1.036 . . . . 0.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HG3' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -70.35 -23.71 62.85 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.179 0.514 . . . . 0.0 110.241 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.89 -20.32 2.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.056 -1.027 . . . . 0.0 110.287 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mt -99.88 -11.67 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 109.596 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.48 -12.54 55.8 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 7' ' ' LYS . 23.1 mt -86.85 35.38 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -1.168 . . . . 0.0 110.253 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.13 -68.16 1.09 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.4 -34.23 1.94 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -1.078 . . . . 0.0 109.959 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.59 -50.95 55.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.628 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.11 -26.37 64.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.381 -0.824 . . . . 0.0 109.9 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 18' ' ' LYS . 48.2 t-80 -73.92 -57.15 4.17 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.924 0.868 . . . . 0.0 110.566 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' HIS . 2.7 t -42.73 -31.7 0.51 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.788 0.804 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -85.54 -27.39 25.61 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.395 0.617 . . . . 0.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' HIS . 25.9 tttt -58.8 -24.37 61.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 110.38 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 -1.04 7.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 0.0 110.723 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.39 21.07 0.23 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.97 . . . . 0.0 110.041 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.567 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.335 0.588 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 4' ' ' LEU . 1.5 mp -64.13 153.21 38.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.1 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 44.39 1.03 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.196 -0.94 . . . . 0.0 110.382 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.499 HD12 HD23 ' A' ' 2' ' ' LEU . 25.6 mt -109.73 8.22 24.6 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 110.015 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -46.89 -48.19 21.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.434 -0.791 . . . . 0.0 111.162 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -84.06 -14.64 50.02 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.617 -0.677 . . . . 0.0 110.918 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.2 6.35 26.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.976 -1.077 . . . . 0.0 110.715 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 4' ' ' LEU . 13.0 mm -76.81 -49.38 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.108 -0.995 . . . . 0.0 110.327 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.66 -26.17 38.35 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.705 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.0 mp -108.52 45.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.219 -1.165 . . . . 0.0 110.269 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.513 ' HA2' HD23 ' A' ' 14' ' ' LEU . . . -93.56 -46.08 3.3 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -28.94 57.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -1.168 . . . . 0.0 109.975 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -27.79 66.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.428 -0.795 . . . . 0.0 110.072 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -74.39 -58.36 3.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.8 t60 -49.87 -63.67 1.04 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 p -47.42 -24.08 0.73 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.632 0.73 . . . . 0.0 109.8 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -88.81 -24.72 22.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.591 -0.693 . . . . 0.0 109.443 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' HIS . 27.3 ttpt -78.81 -4.1 47.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.462 -0.774 . . . . 0.0 109.723 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -111.46 -38.38 4.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.66 -0.89 3.14 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.396 -0.815 . . . . 0.0 109.487 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.159 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.222 0.534 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.12 120.07 41.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.241 -0.912 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.661 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.5 ttmp? -123.42 7.62 9.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.027 -1.046 . . . . 0.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 3' ' ' LYS . 4.9 mp -146.17 49.25 1.19 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.171 -0.956 . . . . 0.0 110.159 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.47 -47.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.054 -1.029 . . . . 0.0 111.017 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -24.8 25.26 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.62 -0.675 . . . . 0.0 110.591 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -7.53 21.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.194 -0.941 . . . . 0.0 110.723 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' HB ' ' CD1' ' A' ' 10' ' ' ILE . 10.0 mm -82.45 -31.57 9.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.295 -0.878 . . . . 0.0 110.381 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.1 61.16 1.68 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 2.3 mp -94.94 -11.4 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.193 -1.18 . . . . 0.0 110.04 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.08 -66.16 2.97 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -30.98 14.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.288 -1.125 . . . . 0.0 110.853 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -50.58 -25.21 3.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.16 -0.963 . . . . 0.0 109.478 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.53 -47.07 64.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.486 -0.759 . . . . 0.0 110.141 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -57.55 -65.21 0.67 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -42.81 14.62 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.883 0.849 . . . . 0.0 109.571 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.17 81.81 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.737 -0.602 . . . . 0.0 109.546 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -75.91 -10.84 59.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 24.4 tttp -98.37 -7.28 29.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.648 -0.657 . . . . 0.0 109.648 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.5 -0.95 2.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.335 -0.853 . . . . 0.0 109.76 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.403 0 O-C-N 120.098 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.236 0.541 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 mp -83.21 127.11 33.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.345 -0.847 . . . . 0.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.67 70.89 1.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.772 . . . . 0.0 109.244 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.35 15.67 6.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.439 -0.788 . . . . 0.0 111.683 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -84.68 -52.16 6.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.797 -1.189 . . . . 0.0 110.161 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -26.74 5.67 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.262 0.553 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -8.16 32.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.216 -0.928 . . . . 0.0 110.249 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 mt -113.03 -8.5 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.441 -0.787 . . . . 0.0 110.118 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -55.83 10.64 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 HG23 ' A' ' 10' ' ' ILE . 38.6 mm -55.98 -19.71 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -1.126 . . . . 0.0 110.455 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.63 -51.45 2.88 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -24.03 66.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.484 -1.01 . . . . 0.0 110.951 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -65.15 -47.64 76.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.055 -1.028 . . . . 0.0 110.033 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.06 -22.73 64.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.215 -0.928 . . . . 0.0 109.258 179.34 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.63 -65.0 1.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.667 0.746 . . . . 0.0 110.17 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 2.0 t -46.96 -36.36 7.62 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.504 0.668 . . . . 0.0 110.493 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.81 61.58 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.529 -0.732 . . . . 0.0 110.403 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.43 3.52 27.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.017 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -134.17 4.01 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.094 -1.004 . . . . 0.0 111.04 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' SER . 1.2 t80 -141.93 -3.45 1.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.969 -1.082 . . . . 0.0 110.454 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.715 -1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 18.7 mtpt . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.399 0.619 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.6 OUTLIER 67.2 117.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.142 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 2' ' ' LEU . 7.1 mtmt -152.83 39.79 0.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.051 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.558 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -46.16 -48.41 17.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.259 -0.901 . . . . 0.0 110.628 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.8 -39.17 52.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.217 -0.927 . . . . 0.0 110.922 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -78.91 4.01 15.4 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.661 -0.649 . . . . 0.0 111.295 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 12.2 mmtt -71.75 -15.57 62.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.089 -1.007 . . . . 0.0 109.695 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 8' ' ' ILE . 7.9 mt -87.12 -6.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.762 -0.586 . . . . 0.0 110.953 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 13.95 60.56 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 10' ' ' ILE . 25.1 mt -69.9 -47.82 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.2 -1.177 . . . . 0.0 110.217 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.26 -24.91 32.68 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -66.66 -27.46 67.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.178 -1.189 . . . . 0.0 110.414 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -35.78 62.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 109.617 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.14 -26.02 31.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 110.067 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -55.01 -68.46 0.19 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.474 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -15.4 46.04 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 121.481 0.658 . . . . 0.0 110.461 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.77 -34.15 45.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -86.12 -20.54 28.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.066 -1.021 . . . . 0.0 110.375 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.24 3.94 28.28 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.555 -0.715 . . . . 0.0 109.767 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.12 -35.96 0.1 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 pttp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.289 0.566 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -171.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.309 -0.87 . . . . 0.0 110.665 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 12.7 mmtm -99.31 27.38 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.304 -0.872 . . . . 0.0 110.302 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mp -46.21 -32.05 2.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.39 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.477 ' O ' ' CG1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.307 -0.871 . . . . 0.0 110.201 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -61.74 -16.59 50.62 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.58 -0.7 . . . . 0.0 109.571 179.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -80.2 -6.82 58.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.468 -0.77 . . . . 0.0 109.766 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 5' ' ' PHE . 11.5 mm -55.62 -28.78 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.559 -0.713 . . . . 0.0 110.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.88 -37.05 61.02 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.2 mm -86.16 46.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -1.116 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.24 -39.57 0.93 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -55.5 -50.55 69.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -1.203 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -76.64 -51.09 12.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.451 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -44.57 -46.92 10.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 0.0 110.532 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -69.64 -68.79 0.39 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -47.99 -29.42 3.44 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.575 0.703 . . . . 0.0 110.361 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -62.0 -46.23 90.11 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.562 -0.711 . . . . 0.0 109.568 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -81.25 -3.97 54.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -108.16 4.96 25.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.49 -0.756 . . . . 0.0 109.87 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' SER . 1.8 t80 -126.19 -22.64 4.03 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.362 -0.836 . . . . 0.0 109.353 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.42 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.251 0.548 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.21 153.45 15.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.926 . . . . 0.0 109.92 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -131.92 60.21 1.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.623 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.91 18.6 5.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.151 -0.968 . . . . 0.0 109.983 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.15 -19.33 10.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.874 . . . . 0.0 110.317 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -2.34 12.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.841 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.92 1.72 22.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.126 -0.984 . . . . 0.0 110.177 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 8' ' ' ILE . 5.9 mt -118.68 -42.88 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 110.208 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.55 77.01 0.69 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -137.15 -35.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -1.131 . . . . 0.0 110.465 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.52 -66.41 2.27 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -28.51 65.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.227 -1.161 . . . . 0.0 110.731 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -32.11 71.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 110.066 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' A' ' 14' ' ' LEU . 13.7 tp -76.06 -42.36 47.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 28.3 t-80 -56.46 -47.92 78.17 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.102 0.953 . . . . 0.0 109.553 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.13 -62.84 1.09 Allowed 'General case' 0 C--N 1.292 -1.934 0 CA-C-O 121.765 0.793 . . . . 0.0 109.784 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.566 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -68.87 -6.93 30.08 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.759 -0.588 . . . . 0.0 110.025 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.92 -16.94 54.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 110.034 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 19.6 mmtt -110.91 -22.42 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.475 -0.765 . . . . 0.0 110.161 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 19' ' ' LYS . 3.2 m-85 -157.52 -47.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 109.671 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.566 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.301 -1.501 0 O-C-N 120.159 -1.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.176 0.513 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' LYS . 3.3 mp 45.17 -171.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.118 -0.989 . . . . 0.0 110.15 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -126.76 8.72 6.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.188 -0.945 . . . . 0.0 110.408 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -130.53 43.6 3.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.135 -0.978 . . . . 0.0 110.216 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -150.06 -28.27 0.24 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.117 -0.989 . . . . 0.0 111.618 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 14.5 ptmm? -54.16 -17.46 2.82 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.169 -0.957 . . . . 0.0 110.624 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -78.01 0.11 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.069 -1.02 . . . . 0.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.2 mm -72.96 -20.81 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 111.088 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -23.57 65.58 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 10' ' ' ILE . 10.7 mm -89.15 47.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -1.234 . . . . 0.0 110.763 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.86 -49.56 0.01 OUTLIER Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.353 -1.403 . . . . 0.0 110.404 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -74.1 -35.69 64.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.254 . . . . 0.0 111.072 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -40.43 89.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.059 -1.026 . . . . 0.0 110.615 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.26 97.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.428 -0.795 . . . . 0.0 111.043 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.0 -56.92 9.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.091 -1.006 . . . . 0.0 110.917 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.596 ' HA ' ' CG ' ' A' ' 19' ' ' LYS . 1.3 p -55.27 -16.74 3.61 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.701 -0.624 . . . . 0.0 110.573 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.64 -39.76 30.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 110.131 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -0.51 55.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.268 -0.895 . . . . 0.0 110.364 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -126.99 2.25 6.56 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -158.27 -37.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.973 -1.08 . . . . 0.0 110.023 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.209 0.528 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.58 142.18 41.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -133.16 63.11 1.64 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.096 -1.002 . . . . 0.0 110.746 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -97.57 49.76 1.04 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.207 179.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.4 m-85 -58.0 -35.36 71.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.415 -0.803 . . . . 0.0 110.655 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -21.48 0.74 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.477 -0.765 . . . . 0.0 110.408 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.753 ' HB3' HD12 ' A' ' 4' ' ' LEU . 10.7 tppt? -74.19 -11.86 60.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.171 -0.955 . . . . 0.0 110.381 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 5' ' ' PHE . 62.0 mt -63.57 -36.17 75.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.812 . . . . 0.0 110.355 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.95 -31.49 0.05 OUTLIER Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 10' ' ' ILE . 2.8 mp -99.69 54.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.236 -1.155 . . . . 0.0 109.8 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.2 -43.63 0.23 Allowed Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.886 -1.15 . . . . 0.0 110.462 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -76.2 -24.22 54.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.899 -1.354 . . . . 0.0 110.386 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 t80 -64.02 -44.18 93.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.122 -0.986 . . . . 0.0 109.459 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 24.0 mt -52.67 -42.11 64.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 109.873 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' LYS . 57.6 t-80 -53.78 -63.11 1.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 122.026 0.917 . . . . 0.0 109.876 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -44.93 -25.63 0.33 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.574 0.702 . . . . 0.0 109.979 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -80.51 -29.75 37.29 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.526 -0.734 . . . . 0.0 109.819 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -70.95 -15.75 62.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.102 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 7.7 tptp -136.16 4.53 2.96 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.405 -0.81 . . . . 0.0 110.45 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -165.18 29.83 0.06 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 109.982 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.409 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 3' ' ' LYS . 5.6 mmpt? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.171 0.51 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 2' ' ' LEU . 7.6 tt -48.44 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 110.158 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -134.48 66.23 1.54 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.196 -0.94 . . . . 0.0 110.409 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 37.4 tp -91.36 10.72 26.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -119.82 -49.89 2.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 0.0 110.698 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -32.99 74.76 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.494 -0.754 . . . . 0.0 110.172 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -74.3 -2.78 26.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.0 110.268 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.9 mm -81.25 -60.37 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.928 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 4.25 47.03 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mt -117.44 -20.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.135 -1.215 . . . . 0.0 110.482 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -61.37 -21.21 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -33.47 31.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.134 -1.215 . . . . 0.0 110.299 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.84 73.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.985 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.83 -16.29 26.96 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.33 -0.856 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 1.6 t-80 -73.87 -40.94 62.87 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.195 -0.941 . . . . 0.0 109.846 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -29.0 25.97 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.764 0.792 . . . . 0.0 109.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.39 30.78 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.619 -0.676 . . . . 0.0 109.654 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -78.64 0.36 26.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.386 -0.821 . . . . 0.0 109.846 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -111.64 -19.56 12.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.371 -0.831 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -146.58 -34.63 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 109.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.124 0.488 . . . . 0.0 110.06 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 13.5 tp -177.95 110.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.305 -0.872 . . . . 0.0 110.31 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -153.04 26.36 0.54 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.216 -0.927 . . . . 0.0 110.413 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 4' ' ' LEU . 5.6 mp -114.94 15.08 17.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.187 -0.946 . . . . 0.0 110.047 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' ILE . 2.8 m-85 -100.25 -28.39 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.396 -0.815 . . . . 0.0 110.195 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -41.25 -28.55 0.11 Allowed 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.775 -0.578 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' PHE . 29.5 tttt -81.35 6.21 15.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.12 -0.987 . . . . 0.0 110.801 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -109.45 -4.97 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.14 -0.975 . . . . 0.0 109.796 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.14 60.75 0.37 Allowed Glycine 0 N--CA 1.486 2.029 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.3 mt -45.87 -23.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.256 -1.144 . . . . 0.0 110.111 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.35 -60.63 7.95 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 16' ' ' SER . 0.0 OUTLIER -57.21 -27.3 61.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.234 -1.156 . . . . 0.0 110.089 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -41.22 43.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 36.9 tp -71.47 -47.82 53.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.218 -0.927 . . . . 0.0 110.054 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -59.19 -49.65 77.03 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.27 -0.894 . . . . 0.0 109.689 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 20' ' ' PHE . 2.0 t -57.18 -17.3 10.58 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.552 0.692 . . . . 0.0 109.804 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -79.76 -35.45 38.67 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.59 -0.694 . . . . 0.0 109.737 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -72.48 -22.22 61.1 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.28 -0.887 . . . . 0.0 109.865 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.38 -2.04 11.16 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.587 -0.696 . . . . 0.0 109.837 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HB3' ' O ' ' A' ' 16' ' ' SER . 1.1 t80 -158.97 17.64 0.18 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 110.076 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.237 0.541 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 5' ' ' PHE . 0.4 OUTLIER 62.86 138.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 110.158 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -136.69 9.56 3.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.174 -0.953 . . . . 0.0 110.407 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -113.26 25.57 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.195 -0.94 . . . . 0.0 110.114 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -70.91 -22.7 62.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.356 -0.84 . . . . 0.0 110.512 -179.586 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.42 -25.66 66.86 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.477 -0.765 . . . . 0.0 110.053 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -62.29 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.388 -0.82 . . . . 0.0 110.197 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 8' ' ' ILE . 6.4 mt -78.29 -34.7 18.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.537 -0.727 . . . . 0.0 110.231 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 5' ' ' PHE . . . -47.11 -37.34 10.25 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 10' ' ' ILE . 66.2 mt -131.41 39.37 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.117 -1.225 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.6 -31.94 0.86 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.53 -41.55 21.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.304 -1.115 . . . . 0.0 110.47 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' HA ' ' OG ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -65.28 -23.25 66.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.86 . . . . 0.0 110.719 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -57.01 14.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.232 -0.918 . . . . 0.0 111.197 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -46.29 88.42 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.113 -0.992 . . . . 0.0 110.294 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.539 ' OG ' ' HA ' ' A' ' 13' ' ' PHE . 4.2 p -62.04 -11.81 15.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HA ' ' N ' ' A' ' 21' ' ' NH2 . . . -102.16 -33.35 9.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -70.1 -11.51 60.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.531 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -131.87 -10.81 3.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.499 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 16' ' ' SER . 6.8 m-85 -145.57 9.79 1.21 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.004 -1.06 . . . . 0.0 109.689 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.489 ' N ' ' HA ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.289 0.566 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 2.9 mt -66.7 95.5 0.35 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.321 -0.862 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 2' ' ' LEU . 2.1 mttt -162.45 24.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.256 -0.903 . . . . 0.0 110.211 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 4' ' ' LEU . 7.4 tt -111.7 1.9 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.04 -24.4 40.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.183 -0.948 . . . . 0.0 110.026 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -49.54 -22.8 1.35 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 110.109 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -13.76 23.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.2 mt -104.5 -7.79 9.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.529 -0.732 . . . . 0.0 109.755 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.38 45.71 2.4 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.3 mt -132.03 4.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.81 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.16 -39.82 0.1 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.114 -1.595 . . . . 0.0 109.114 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -38.6 87.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.468 -1.019 . . . . 0.0 110.221 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.192 -0.942 . . . . 0.0 110.295 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -33.5 75.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.112 -0.992 . . . . 0.0 109.854 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.38 -60.46 2.94 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.102 0.953 . . . . 0.0 109.702 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 21.3 p -54.75 -17.91 4.06 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.62 0.724 . . . . 0.0 109.855 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.6 -13.88 31.18 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.296 -0.877 . . . . 0.0 109.659 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -20.28 29.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 110.343 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -150.44 20.34 0.83 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.389 -0.819 . . . . 0.0 110.745 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -146.25 -24.2 0.44 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 179.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.246 0 O-C-N 119.651 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.4 OUTLIER 67.56 75.42 0.29 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.691 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 38.02 2.55 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.227 -0.921 . . . . 0.0 109.796 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.3 tt -162.67 -35.27 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.292 -0.88 . . . . 0.0 110.416 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -20.38 60.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.254 -0.904 . . . . 0.0 110.243 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -30.15 67.3 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.606 -0.684 . . . . 0.0 110.643 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.6 7.31 17.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 110.315 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.8 mt -106.6 -14.91 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.907 . . . . 0.0 110.451 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.12 -11.65 67.44 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 10' ' ' ILE . 28.0 mt -116.21 -5.41 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.095 -1.238 . . . . 0.0 110.657 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.66 -41.99 33.5 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.75 -12.83 26.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -1.135 . . . . 0.0 110.729 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -50.52 31.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.107 -0.995 . . . . 0.0 110.118 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.3 tt -58.52 -34.54 71.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.984 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -63.36 -64.98 0.75 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -49.52 -21.53 0.99 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-O 121.495 0.664 . . . . 0.0 110.36 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -77.05 -57.83 3.62 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.52 -0.738 . . . . 0.0 109.768 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -84.37 8.86 14.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.42 -0.8 . . . . 0.0 110.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.9 tptt -133.18 3.79 3.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.942 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.66 26.91 0.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.111 -0.993 . . . . 0.0 109.77 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.129 0.49 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 3.4 mp 56.3 94.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -165.01 33.64 0.06 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' CG ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -158.48 50.4 0.39 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.024 -1.048 . . . . 0.0 110.614 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.476 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -147.94 -83.61 0.11 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.3 -0.875 . . . . 0.0 110.283 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.793 ' O ' HD12 ' A' ' 10' ' ' ILE . 13.6 mttt -57.26 -16.79 9.25 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.378 -0.826 . . . . 0.0 110.221 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLY . 2.0 pptp? -75.73 -13.44 60.31 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.26 -0.9 . . . . 0.0 110.66 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' PHE . 93.7 mt -50.38 -36.06 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.374 -0.829 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.28 -34.37 3.17 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 119.718 -1.23 . . . . 0.0 110.082 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.793 HD12 ' O ' ' A' ' 6' ' ' LYS . 2.8 mp -89.17 -31.58 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.191 -1.182 . . . . 0.0 110.645 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -43.17 -63.95 1.89 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -59.7 -22.43 62.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.202 -1.175 . . . . 0.0 110.633 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -51.93 13.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.987 . . . . 0.0 110.508 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.81 -35.45 74.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.111 -0.993 . . . . 0.0 110.104 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.09 -53.93 15.24 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 11.6 t -54.98 -45.99 75.07 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.708 0.766 . . . . 0.0 109.833 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.73 72.02 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.346 -0.846 . . . . 0.0 109.376 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -84.81 -0.64 54.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 0.0 109.841 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.32 50.45 0.34 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.524 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' SER . 9.8 t80 -161.68 22.1 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 110.048 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.236 0.541 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.86 54.84 1.87 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.935 . . . . 0.0 110.124 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -103.12 58.42 0.76 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.365 -0.835 . . . . 0.0 109.391 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 4' ' ' LEU . 1.1 mp -80.27 47.92 0.96 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.65 -0.656 . . . . 0.0 110.321 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -100.71 -64.35 1.05 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.434 -0.791 . . . . 0.0 110.163 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.43 -12.96 60.04 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.66 -0.65 . . . . 0.0 110.209 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -76.78 1.96 15.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.917 . . . . 0.0 110.25 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 5' ' ' PHE . 30.0 mt -74.79 -51.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 110.011 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 48.76 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.636 HG22 ' HB3' ' A' ' 13' ' ' PHE . 21.9 mt -132.13 15.23 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.157 -1.202 . . . . 0.0 110.036 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -45.63 -56.26 6.58 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.86 -48.75 20.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -1.191 . . . . 0.0 110.548 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.636 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -62.09 -44.45 96.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.083 -1.011 . . . . 0.0 109.653 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.6 mm? -68.23 -30.15 69.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.452 -0.78 . . . . 0.0 109.766 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -72.91 -53.3 11.7 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.4 -0.813 . . . . 0.0 110.258 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -51.91 -33.61 37.85 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.547 0.689 . . . . 0.0 110.432 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.92 64.48 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -74.67 -7.77 54.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.241 -0.912 . . . . 0.0 110.239 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -123.45 -22.51 5.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.374 -0.829 . . . . 0.0 110.028 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -139.46 0.69 1.89 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.912 . . . . 0.0 109.927 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.1 140.99 21.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.892 . . . . 0.0 110.068 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.25 3.09 4.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 110.037 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 63.28 0.96 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.245 -0.909 . . . . 0.0 109.834 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -23.42 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.356 -0.84 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -70.65 -26.69 63.57 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.684 -0.635 . . . . 0.0 109.905 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -66.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.401 -0.812 . . . . 0.0 111.189 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.25 -41.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 O-C-N 121.716 -0.615 . . . . 0.0 110.691 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.47 31.67 8.2 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -60.84 -14.56 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -1.098 . . . . 0.0 110.409 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . -64.79 -52.64 40.53 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 mptt -42.63 -28.6 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -1.179 . . . . 0.0 110.421 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -38.2 27.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -0.983 . . . . 0.0 110.378 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -75.15 -25.31 58.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.527 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 -49.11 25.65 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 109.614 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -57.94 -17.73 18.82 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.764 0.793 . . . . 0.0 109.637 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' NH2 . . . -86.4 -41.14 14.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.602 -0.686 . . . . 0.0 109.978 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.0 -6.96 36.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.32 -0.863 . . . . 0.0 110.03 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -115.35 -13.49 11.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.428 -0.795 . . . . 0.0 109.825 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -143.1 -33.62 0.44 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.355 -0.84 . . . . 0.0 109.813 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.978 -1.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.328 0.585 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -135.32 -177.48 4.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 110.081 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -103.4 54.06 0.76 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -152.79 73.34 1.0 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.201 -0.937 . . . . 0.0 110.528 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -74.75 -89.63 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.144 -0.973 . . . . 0.0 110.321 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -53.15 -17.97 1.94 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.376 -0.827 . . . . 0.0 110.624 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -64.62 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.52 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 4' ' ' LEU . 2.7 mt -84.6 -10.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 121.388 -0.82 . . . . 0.0 110.71 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.56 -47.56 1.11 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.93 45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -1.149 . . . . 0.0 110.192 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.72 -39.73 1.28 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.99 -14.03 20.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.438 -1.036 . . . . 0.0 109.834 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -27.73 63.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -81.69 -35.59 29.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.221 -0.924 . . . . 0.0 110.569 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -62.32 -57.64 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 110.495 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 t -50.25 -20.42 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 CA-C-O 121.421 0.629 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -79.45 -53.88 6.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.196 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -54.18 -18.97 4.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.36 -35.26 21.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.717 -0.614 . . . . 0.0 110.029 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 3.4 m-85 -149.36 -35.25 0.18 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 0.0 109.912 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.7 mttt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.237 0.541 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.92 58.86 0.67 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.139 -0.975 . . . . 0.0 110.351 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -144.32 10.37 1.47 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.417 HD23 ' HE2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -104.48 52.15 0.76 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.226 -0.921 . . . . 0.0 110.532 -179.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.04 -21.73 8.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.262 -0.899 . . . . 0.0 109.95 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.0 mmtp -85.35 -9.4 57.67 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.701 -0.624 . . . . 0.0 110.307 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' HD23 ' A' ' 4' ' ' LEU . 14.6 mtmm -82.63 -10.84 58.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.47 -23.37 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.269 -0.894 . . . . 0.0 109.064 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.04 -41.97 0.8 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 6' ' ' LYS . 52.1 mt -79.11 -29.63 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -1.07 . . . . 0.0 109.683 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . -73.92 -48.96 14.61 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' OG ' ' A' ' 16' ' ' SER . 18.1 ttpp -42.23 -39.64 2.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -1.055 . . . . 0.0 109.936 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -29.22 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.236 -0.915 . . . . 0.0 109.429 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.789 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.4 tp -93.71 -49.19 5.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -47.57 -59.63 3.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 12' ' ' LYS . 16.3 p -55.34 -18.99 7.51 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.708 0.766 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -75.94 -31.12 58.94 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.589 -0.695 . . . . 0.0 110.084 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 -21.94 33.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.891 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 3.7 ttpt -90.74 -10.63 42.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.564 -0.71 . . . . 0.0 109.729 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 6.0 t80 -128.68 -28.69 2.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.378 -0.826 . . . . 0.0 109.241 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.471 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.296 0.569 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.7 79.73 0.43 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.24 -0.912 . . . . 0.0 110.272 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 28.54 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 110.101 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.96 81.78 0.86 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.396 -0.815 . . . . 0.0 109.844 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.644 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -164.45 -34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.318 -0.864 . . . . 0.0 110.685 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -42.74 83.87 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.435 -0.79 . . . . 0.0 110.368 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 4.57 18.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.538 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 5' ' ' PHE . 9.7 mt -86.94 -34.08 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.273 -0.892 . . . . 0.0 110.423 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.45 50.71 0.08 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.544 HD11 ' HD1' ' A' ' 5' ' ' PHE . 20.4 mt -105.67 -33.5 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -1.147 . . . . 0.0 110.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -31.29 80.42 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -29.0 68.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -1.154 . . . . 0.0 110.172 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -59.55 -32.18 70.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.184 -0.947 . . . . 0.0 109.894 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.3 tp -66.82 -20.68 65.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 110.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -79.36 -60.33 2.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -63.08 -11.22 18.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.388 0.613 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.73 -40.47 11.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.487 -0.758 . . . . 0.0 110.073 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -79.71 -8.45 59.24 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -128.64 1.24 5.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.462 -0.774 . . . . 0.0 110.074 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.25 21.07 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.268 -0.895 . . . . 0.0 109.869 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_