data_2rlg_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 2rlg _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 99.99 110.968 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -52.79 -28.17 21.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.817 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -31.75 63.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.408 -0.96 . . . . 99.99 108.408 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.707 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -66.43 -46.74 75.47 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.604 -1.258 . . . . 99.99 107.604 176.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.459 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -52.1 -37.83 55.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.229 -1.35 . . . . 99.99 111.126 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.98 -31.08 71.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.474 -0.565 . . . . 99.99 109.474 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.484 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -57.56 -48.61 78.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.8 0.809 . . . . 99.99 109.179 178.12 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -76.55 -27.48 55.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.796 -1.093 . . . . 99.99 109.701 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.51 -19.46 49.59 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.748 -0.66 . . . . 99.99 110.799 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -75.3 -42.0 55.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 99.99 109.15 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.38 -58.04 9.99 Favored 'General case' 0 C--O 1.247 0.959 0 CA-C-N 115.256 -0.884 . . . . 99.99 108.813 178.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -64.58 -47.65 77.88 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.522 -1.217 . . . . 99.99 110.435 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.551 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -33.12 -57.49 0.39 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.828 -0.623 . . . . 99.99 110.706 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.53 -80.82 0.32 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.696 -0.684 . . . . 99.99 112.044 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.617 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.83 -80.96 0.4 Allowed 'General case' 0 C--O 1.23 0.057 0 N-CA-C 113.124 0.787 . . . . 99.99 113.124 -179.021 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 4.0 pp 153.24 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.869 -1.06 . . . . 99.99 110.726 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.609 -0.805 . . . . 99.99 112.435 179.671 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.613 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.2 0.524 . . . . 99.99 111.393 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.457 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.5 m-30 -52.01 -26.73 11.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.375 -0.375 . . . . 99.99 110.719 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.77 -38.91 70.51 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.36 1.076 . . . . 99.99 108.107 177.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.861 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -59.37 -45.39 91.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.603 -1.258 . . . . 99.99 107.603 176.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 1.4 m-30 -57.56 -20.02 29.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.524 -1.216 . . . . 99.99 111.041 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.786 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.39 -36.03 65.99 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.876 -0.787 . . . . 99.99 108.876 178.272 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.861 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.88 -43.21 81.03 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.769 0.795 . . . . 99.99 109.483 178.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HD2' ' CE ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.98 -29.97 28.59 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.461 -1.245 . . . . 99.99 110.221 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.2 tp -83.12 0.35 45.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.852 -0.613 . . . . 99.99 109.358 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' LYS . 5.5 mt -90.57 -55.52 3.55 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.285 -0.871 . . . . 99.99 110.256 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' CE ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -60.48 -45.87 92.15 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 108.809 -0.812 . . . . 99.99 108.809 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.414 ' CB ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.26 -46.04 82.12 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.226 -1.352 . . . . 99.99 109.753 178.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.23 -57.26 1.11 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.313 -0.858 . . . . 99.99 110.463 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -81.57 0.31 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.954 -0.566 . . . . 99.99 112.369 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.79 -80.34 0.41 Allowed 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 113.009 0.744 . . . . 99.99 113.009 -179.248 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER 155.02 -22.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.637 -1.165 . . . . 99.99 109.687 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.372 0 C-N-CA 121.029 -0.605 . . . . 99.99 112.439 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 4.8 tp . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.28 0.562 . . . . 99.99 112.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.495 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 3.1 m-30 -54.13 -21.66 9.23 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.376 -0.529 . . . . 99.99 111.17 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.647 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -60.17 -31.46 70.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.159 0.981 . . . . 99.99 108.502 177.713 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -68.79 -39.59 80.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.488 -1.233 . . . . 99.99 108.136 177.33 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 4.0 m-30 -58.73 -40.1 82.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.483 -1.235 . . . . 99.99 110.263 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.07 -32.83 72.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 99.99 108.934 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.88 -53.5 51.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.654 0.74 . . . . 99.99 109.101 177.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.541 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.22 -24.06 57.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.037 -0.983 . . . . 99.99 109.747 178.715 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -84.6 -6.43 59.37 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.045 -0.525 . . . . 99.99 111.012 179.516 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -90.8 -42.73 10.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.632 -0.507 . . . . 99.99 109.632 178.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HE2' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -62.98 -54.26 41.14 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 108.607 -0.886 . . . . 99.99 108.607 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.495 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.33 -48.71 76.87 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.735 -1.12 . . . . 99.99 109.692 177.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.14 -58.76 0.3 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.488 -0.778 . . . . 99.99 110.639 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -91.12 -81.15 0.32 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.894 0.702 . . . . 99.99 112.894 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -94.42 -80.55 0.4 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.649 0.611 . . . . 99.99 112.649 -178.12 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HA ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 153.78 -20.25 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.519 -1.218 . . . . 99.99 109.175 -178.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.486 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.915 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 6.7 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.294 0.569 . . . . 99.99 110.741 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 5.7 m-30 -50.07 -28.63 7.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.068 -0.515 . . . . 99.99 110.842 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.698 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -56.06 -36.37 67.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.235 1.016 . . . . 99.99 108.493 178.108 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.882 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.2 ttmp? -61.46 -47.37 86.01 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 2.0 m-30 -54.96 -26.48 36.77 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.38 -1.282 . . . . 99.99 110.781 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.698 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.969 -0.752 . . . . 99.99 108.969 179.028 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.882 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.73 -44.97 90.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.702 0.763 . . . . 99.99 109.19 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.61 -29.84 52.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.729 -1.123 . . . . 99.99 110.161 179.012 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -78.19 -20.27 52.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.573 -0.739 . . . . 99.99 110.335 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -76.23 -43.36 42.48 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.961 -0.563 . . . . 99.99 110.467 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.772 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -59.67 -57.46 12.84 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 108.77 -0.826 . . . . 99.99 108.77 179.031 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.634 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 1.4 m -65.22 -40.5 94.2 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 114.5 -1.227 . . . . 99.99 110.266 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -37.02 -63.08 0.45 Allowed 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.301 -0.629 . . . . 99.99 109.301 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 -81.42 0.32 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.555 -0.748 . . . . 99.99 112.202 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 3.8 tpt180 -96.37 -81.69 0.41 Allowed 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.201 0.815 . . . . 99.99 113.201 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.772 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 158.15 -21.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 114.153 -1.385 . . . . 99.99 109.765 -178.556 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.874 -0.679 . . . . 99.99 112.298 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.665 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 5.7 tp . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 121.252 0.549 . . . . 99.99 111.383 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.477 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.6 m-30 -49.43 -29.46 6.52 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.901 0.382 . . . . 99.99 110.686 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.53 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.16 -38.32 62.64 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.365 -0.976 . . . . 99.99 108.365 177.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.88 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -59.56 -49.85 76.19 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.674 -1.232 . . . . 99.99 107.674 176.502 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.477 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.3 m-30 -52.65 -22.07 4.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.985 -1.007 . . . . 99.99 110.434 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HE2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.33 -36.59 66.22 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.909 -0.774 . . . . 99.99 108.909 178.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.88 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.86 -41.83 67.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.112 0.958 . . . . 99.99 108.792 178.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HD2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -83.14 -37.32 23.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.165 -1.379 . . . . 99.99 110.972 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.9 tp -73.08 -14.06 61.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.22 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 7' ' ' LYS . 7.4 mt -80.05 -54.52 5.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.352 -0.84 . . . . 99.99 110.307 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.653 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -49.81 -50.67 44.21 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.412 -0.813 . . . . 99.99 109.936 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.653 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.22 -41.59 66.71 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.568 -1.196 . . . . 99.99 110.047 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.49 -56.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.659 -0.7 . . . . 99.99 109.507 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -91.92 -81.97 0.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.415 -0.812 . . . . 99.99 112.375 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -96.44 -81.79 0.41 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.75 0.786 . . . . 99.99 113.047 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 156.83 -22.1 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.849 -1.523 . . . . 99.99 109.372 -178.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.402 0 C-N-CA 121.055 -0.593 . . . . 99.99 112.263 179.509 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.736 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.602 0.715 . . . . 99.99 110.801 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.486 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 9.9 m-30 -51.06 -30.89 17.04 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.9 -0.591 . . . . 99.99 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.748 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.89 -34.78 63.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.204 1.002 . . . . 99.99 108.438 178.147 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.96 -48.07 83.52 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.467 -1.309 . . . . 99.99 107.467 176.512 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.4 m-30 -53.15 -26.96 18.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.822 -1.081 . . . . 99.99 110.743 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.748 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -66.47 -34.48 78.03 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.347 -0.983 . . . . 99.99 108.347 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.69 -45.63 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.624 0.726 . . . . 99.99 109.616 177.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.64 -23.97 42.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.98 . . . . 99.99 110.137 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -82.6 -18.86 39.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.252 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -77.95 -42.0 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 99.99 109.923 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.688 ' HG2' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.48 -56.96 15.07 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 108.422 -0.955 . . . . 99.99 108.422 178.279 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.688 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.47 -42.77 98.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.153 -1.385 . . . . 99.99 110.328 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.56 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -36.46 -64.18 0.35 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.936 -0.574 . . . . 99.99 109.612 179.487 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -91.57 -82.07 0.31 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.57 -0.741 . . . . 99.99 112.47 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -97.47 -81.51 0.43 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.54 0.941 . . . . 99.99 113.54 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.668 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 160.25 -24.68 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.03 -1.441 . . . . 99.99 109.616 -178.671 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.091 -0.576 . . . . 99.99 112.167 179.811 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 3.4 tp . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.285 0.564 . . . . 99.99 111.402 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.466 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 5.3 m-30 -50.61 -27.29 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.291 -0.413 . . . . 99.99 110.978 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.725 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.5 -36.9 64.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.114 -1.069 . . . . 99.99 108.114 178.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.802 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 9.5 tttt -61.18 -48.8 79.89 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 107.282 -1.377 . . . . 99.99 107.282 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.466 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 2.3 m-30 -52.05 -30.94 27.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.645 -1.162 . . . . 99.99 110.55 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.725 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -62.59 -36.5 82.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.683 -0.858 . . . . 99.99 108.683 178.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.802 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.79 -40.37 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.705 0.764 . . . . 99.99 109.329 177.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.72 -35.96 65.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.789 -1.096 . . . . 99.99 111.587 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.659 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -85.29 -6.39 59.25 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.481 -0.888 . . . . 99.99 109.381 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -75.61 -45.32 38.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.689 -0.856 . . . . 99.99 108.689 178.033 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.49 -57.03 12.68 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 108.564 -0.902 . . . . 99.99 108.564 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.464 ' CA ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -58.43 -48.84 79.4 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 114.39 -1.277 . . . . 99.99 110.178 178.272 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.51 -63.65 0.2 Allowed 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.542 -0.753 . . . . 99.99 110.879 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -80.88 0.32 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.193 0.812 . . . . 99.99 113.193 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -95.82 -80.82 0.42 Allowed 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 112.921 0.712 . . . . 99.99 112.921 -178.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 155.78 -22.25 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.126 -1.397 . . . . 99.99 109.212 -178.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.353 0 C-N-CA 121.132 -0.556 . . . . 99.99 112.297 179.84 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.731 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.41 0.624 . . . . 99.99 110.737 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.483 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 5.8 m-30 -56.1 -21.96 25.24 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.375 -0.53 . . . . 99.99 110.431 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.638 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.49 -29.06 70.11 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.073 -1.084 . . . . 99.99 108.073 177.52 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.731 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -67.78 -35.46 78.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.806 -1.088 . . . . 99.99 108.278 176.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 4.3 m-30 -59.44 -50.06 75.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 114.809 -1.087 . . . . 99.99 111.225 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.24 -27.23 65.59 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.789 -0.765 . . . . 99.99 109.401 179.19 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.94 -55.25 37.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.479 0.657 . . . . 99.99 109.443 178.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.75 -28.22 64.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.5 -0.773 . . . . 99.99 109.272 178.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.89 -12.81 59.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.446 -0.797 . . . . 99.99 110.721 179.319 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -79.81 -40.74 27.91 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.052 -0.721 . . . . 99.99 109.052 179.31 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.75 -59.49 4.95 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.957 -1.127 . . . . 99.99 107.957 177.455 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.589 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.33 -42.22 93.13 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 113.582 -1.645 . . . . 99.99 110.443 178.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -34.07 -63.78 0.26 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.916 -0.584 . . . . 99.99 109.444 179.549 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -81.41 0.33 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.811 -0.631 . . . . 99.99 112.384 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -97.09 -82.14 0.41 Allowed 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.934 0.873 . . . . 99.99 113.208 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.72 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 159.78 -23.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.556 -1.657 . . . . 99.99 109.443 -178.477 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 99.99 112.707 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 121.132 0.491 . . . . 99.99 111.689 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 16.4 m-30 -75.67 -9.53 58.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.535 0.683 . . . . 99.99 111.412 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.721 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -84.92 -18.95 33.04 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.328 -1.36 . . . . 99.99 107.328 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.685 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -73.78 -65.31 0.84 Allowed 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 113.718 -1.583 . . . . 99.99 108.947 177.605 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.643 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.14 -26.1 59.98 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.93 -0.708 . . . . 99.99 110.8 -178.695 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.721 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.22 -30.79 69.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.713 -1.217 . . . . 99.99 107.713 176.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.38 -43.87 79.66 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.72 -0.845 . . . . 99.99 108.72 177.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -35.1 68.73 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.887 -1.051 . . . . 99.99 109.771 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.7 tt -75.01 -15.68 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.462 -0.79 . . . . 99.99 110.241 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -75.29 -41.58 56.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.369 0.604 . . . . 99.99 109.414 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -59.49 -54.78 42.62 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.068 -0.969 . . . . 99.99 109.228 178.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.77 -43.38 79.93 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 114.534 -1.212 . . . . 99.99 109.851 178.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -33.84 -57.66 0.45 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.424 -0.807 . . . . 99.99 110.062 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -91.03 -81.5 0.31 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.836 -0.62 . . . . 99.99 111.977 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.37 -80.98 0.41 Allowed 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 112.932 0.716 . . . . 99.99 112.932 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 157.01 -23.53 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.465 -1.243 . . . . 99.99 109.157 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.981 -0.628 . . . . 99.99 112.128 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.757 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 35.1 tp . . . . . 0 C--O 1.224 -0.253 0 CA-C-O 121.531 0.681 . . . . 99.99 111.539 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 5.5 m-30 -64.18 -19.16 65.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.373 0.606 . . . . 99.99 111.494 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.905 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -80.15 -28.58 38.83 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.356 -1.72 . . . . 99.99 106.356 176.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.757 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -64.58 -52.5 57.25 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 114.186 -1.37 . . . . 99.99 109.432 176.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -70.1 -18.33 63.24 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.538 -1.265 . . . . 99.99 112.754 -177.317 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.905 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.74 -20.84 61.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 105.92 -1.882 . . . . 99.99 105.92 174.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.705 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -54.91 -62.64 1.52 Allowed 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.475 -1.305 . . . . 99.99 107.475 175.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -61.82 -31.12 71.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.546 -1.661 . . . . 99.99 110.576 179.556 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.554 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -80.35 -5.83 57.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.144 -0.48 . . . . 99.99 110.721 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -86.99 -40.49 14.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.827 -0.434 . . . . 99.99 109.827 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' CE ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.19 -45.62 84.06 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.437 -0.949 . . . . 99.99 108.437 178.358 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 17' ' ' LEU . 12.7 t -72.86 -29.7 63.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.758 -1.11 . . . . 99.99 110.059 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -49.72 -49.33 48.35 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.446 -0.576 . . . . 99.99 109.446 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.557 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 10.3 tmtt? -91.57 -80.91 0.34 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.382 -0.826 . . . . 99.99 111.62 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -93.6 -80.67 0.38 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 112.265 0.468 . . . . 99.99 112.265 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 151.03 -21.65 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.318 -0.856 . . . . 99.99 110.348 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.645 -0.788 . . . . 99.99 112.417 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.908 0.385 . . . . 99.99 111.107 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER 175.3 -31.45 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.309 0.576 . . . . 99.99 110.968 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -52.79 -28.17 21.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.817 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -31.75 63.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.408 -0.96 . . . . 99.99 108.408 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.707 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -66.43 -46.74 75.47 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.604 -1.258 . . . . 99.99 107.604 176.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.459 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -52.1 -37.83 55.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.229 -1.35 . . . . 99.99 111.126 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.98 -31.08 71.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.474 -0.565 . . . . 99.99 109.474 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.484 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -57.56 -48.61 78.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.8 0.809 . . . . 99.99 109.179 178.12 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -76.55 -27.48 55.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.796 -1.093 . . . . 99.99 109.701 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.51 -19.46 49.59 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.748 -0.66 . . . . 99.99 110.799 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -75.3 -42.0 55.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 99.99 109.15 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.38 -58.04 9.99 Favored 'General case' 0 C--O 1.247 0.959 0 CA-C-N 115.256 -0.884 . . . . 99.99 108.813 178.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -64.58 -47.65 77.88 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.522 -1.217 . . . . 99.99 110.435 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.551 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -33.12 -57.49 0.39 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.828 -0.623 . . . . 99.99 110.706 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.53 -80.82 0.32 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.696 -0.684 . . . . 99.99 112.044 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.617 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.83 -80.96 0.4 Allowed 'General case' 0 C--O 1.23 0.057 0 N-CA-C 113.124 0.787 . . . . 99.99 113.124 -179.021 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 4.0 pp 153.24 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.869 -1.06 . . . . 99.99 110.726 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.609 -0.805 . . . . 99.99 112.435 179.671 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.897 0.379 . . . . 99.99 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.613 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -169.1 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.2 0.524 . . . . 99.99 111.393 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.5 m-30 -52.01 -26.73 11.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.375 -0.375 . . . . 99.99 110.719 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.77 -38.91 70.51 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.36 1.076 . . . . 99.99 108.107 177.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.861 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -59.37 -45.39 91.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.603 -1.258 . . . . 99.99 107.603 176.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 1.4 m-30 -57.56 -20.02 29.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.524 -1.216 . . . . 99.99 111.041 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.786 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.39 -36.03 65.99 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.876 -0.787 . . . . 99.99 108.876 178.272 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.861 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.88 -43.21 81.03 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.769 0.795 . . . . 99.99 109.483 178.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HD2' ' CE ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.98 -29.97 28.59 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.461 -1.245 . . . . 99.99 110.221 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.2 tp -83.12 0.35 45.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.852 -0.613 . . . . 99.99 109.358 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' LYS . 5.5 mt -90.57 -55.52 3.55 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.285 -0.871 . . . . 99.99 110.256 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' CE ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -60.48 -45.87 92.15 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 108.809 -0.812 . . . . 99.99 108.809 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.414 ' CB ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.26 -46.04 82.12 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.226 -1.352 . . . . 99.99 109.753 178.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.23 -57.26 1.11 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.313 -0.858 . . . . 99.99 110.463 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -81.57 0.31 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.954 -0.566 . . . . 99.99 112.369 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.79 -80.34 0.41 Allowed 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 113.009 0.744 . . . . 99.99 113.009 -179.248 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER 155.02 -22.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.637 -1.165 . . . . 99.99 109.687 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.372 0 C-N-CA 121.029 -0.605 . . . . 99.99 112.439 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.68 0.276 . . . . 99.99 110.815 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 4.8 tp -170.99 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.28 0.562 . . . . 99.99 112.437 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.495 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 3.1 m-30 -54.13 -21.66 9.23 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.376 -0.529 . . . . 99.99 111.17 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.647 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -60.17 -31.46 70.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.159 0.981 . . . . 99.99 108.502 177.713 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -68.79 -39.59 80.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.488 -1.233 . . . . 99.99 108.136 177.33 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 4.0 m-30 -58.73 -40.1 82.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.483 -1.235 . . . . 99.99 110.263 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.07 -32.83 72.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 99.99 108.934 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.88 -53.5 51.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.654 0.74 . . . . 99.99 109.101 177.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.22 -24.06 57.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.037 -0.983 . . . . 99.99 109.747 178.715 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -84.6 -6.43 59.37 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.045 -0.525 . . . . 99.99 111.012 179.516 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -90.8 -42.73 10.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.632 -0.507 . . . . 99.99 109.632 178.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HE2' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -62.98 -54.26 41.14 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 108.607 -0.886 . . . . 99.99 108.607 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.495 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.33 -48.71 76.87 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.735 -1.12 . . . . 99.99 109.692 177.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.14 -58.76 0.3 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.488 -0.778 . . . . 99.99 110.639 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -91.12 -81.15 0.32 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.894 0.702 . . . . 99.99 112.894 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -94.42 -80.55 0.4 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.649 0.611 . . . . 99.99 112.649 -178.12 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HA ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 153.78 -20.25 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.519 -1.218 . . . . 99.99 109.175 -178.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.486 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.915 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.963 0.411 . . . . 99.99 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 6.7 tp -173.82 -33.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 99.99 110.741 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 5.7 m-30 -50.07 -28.63 7.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.068 -0.515 . . . . 99.99 110.842 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.698 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -56.06 -36.37 67.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.235 1.016 . . . . 99.99 108.493 178.108 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.882 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.2 ttmp? -61.46 -47.37 86.01 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 107.523 -1.288 . . . . 99.99 107.523 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 2.0 m-30 -54.96 -26.48 36.77 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.38 -1.282 . . . . 99.99 110.781 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.698 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.969 -0.752 . . . . 99.99 108.969 179.028 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.882 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.73 -44.97 90.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.702 0.763 . . . . 99.99 109.19 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.61 -29.84 52.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.729 -1.123 . . . . 99.99 110.161 179.012 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -78.19 -20.27 52.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.573 -0.739 . . . . 99.99 110.335 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -76.23 -43.36 42.48 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.961 -0.563 . . . . 99.99 110.467 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.772 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -59.67 -57.46 12.84 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 108.77 -0.826 . . . . 99.99 108.77 179.031 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.634 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 1.4 m -65.22 -40.5 94.2 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 114.5 -1.227 . . . . 99.99 110.266 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -37.02 -63.08 0.45 Allowed 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.301 -0.629 . . . . 99.99 109.301 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 -81.42 0.32 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.555 -0.748 . . . . 99.99 112.202 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 3.8 tpt180 -96.37 -81.69 0.41 Allowed 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.201 0.815 . . . . 99.99 113.201 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.772 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 158.15 -21.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 114.153 -1.385 . . . . 99.99 109.765 -178.556 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.874 -0.679 . . . . 99.99 112.298 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.844 0.354 . . . . 99.99 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.665 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 5.7 tp -175.93 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.252 0.549 . . . . 99.99 111.383 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.6 m-30 -49.43 -29.46 6.52 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.901 0.382 . . . . 99.99 110.686 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.53 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.16 -38.32 62.64 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.365 -0.976 . . . . 99.99 108.365 177.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.88 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -59.56 -49.85 76.19 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.674 -1.232 . . . . 99.99 107.674 176.502 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.477 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.3 m-30 -52.65 -22.07 4.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.985 -1.007 . . . . 99.99 110.434 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HE2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.33 -36.59 66.22 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.909 -0.774 . . . . 99.99 108.909 178.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.88 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.86 -41.83 67.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.112 0.958 . . . . 99.99 108.792 178.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HD2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -83.14 -37.32 23.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.165 -1.379 . . . . 99.99 110.972 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.9 tp -73.08 -14.06 61.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.22 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 7' ' ' LYS . 7.4 mt -80.05 -54.52 5.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.352 -0.84 . . . . 99.99 110.307 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.653 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -49.81 -50.67 44.21 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.412 -0.813 . . . . 99.99 109.936 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.653 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.22 -41.59 66.71 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.568 -1.196 . . . . 99.99 110.047 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.49 -56.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.659 -0.7 . . . . 99.99 109.507 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -91.92 -81.97 0.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.415 -0.812 . . . . 99.99 112.375 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -96.44 -81.79 0.41 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.75 0.786 . . . . 99.99 113.047 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 156.83 -22.1 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.849 -1.523 . . . . 99.99 109.372 -178.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.402 0 C-N-CA 121.055 -0.593 . . . . 99.99 112.263 179.509 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.838 0.351 . . . . 99.99 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.736 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -178.18 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 99.99 110.801 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.486 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 9.9 m-30 -51.06 -30.89 17.04 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.9 -0.591 . . . . 99.99 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.748 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.89 -34.78 63.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.204 1.002 . . . . 99.99 108.438 178.147 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.96 -48.07 83.52 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.467 -1.309 . . . . 99.99 107.467 176.512 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.4 m-30 -53.15 -26.96 18.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.822 -1.081 . . . . 99.99 110.743 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.748 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -66.47 -34.48 78.03 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.347 -0.983 . . . . 99.99 108.347 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.69 -45.63 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.624 0.726 . . . . 99.99 109.616 177.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.64 -23.97 42.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.98 . . . . 99.99 110.137 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -82.6 -18.86 39.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.252 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -77.95 -42.0 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 99.99 109.923 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.688 ' HG2' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.48 -56.96 15.07 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 108.422 -0.955 . . . . 99.99 108.422 178.279 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.688 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.47 -42.77 98.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.153 -1.385 . . . . 99.99 110.328 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.56 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -36.46 -64.18 0.35 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.936 -0.574 . . . . 99.99 109.612 179.487 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -91.57 -82.07 0.31 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.57 -0.741 . . . . 99.99 112.47 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -97.47 -81.51 0.43 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.54 0.941 . . . . 99.99 113.54 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.668 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 160.25 -24.68 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.03 -1.441 . . . . 99.99 109.616 -178.671 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.091 -0.576 . . . . 99.99 112.167 179.811 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.834 0.35 . . . . 99.99 110.94 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 3.4 tp -174.59 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.285 0.564 . . . . 99.99 111.402 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.466 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 5.3 m-30 -50.61 -27.29 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.291 -0.413 . . . . 99.99 110.978 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.725 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.5 -36.9 64.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.114 -1.069 . . . . 99.99 108.114 178.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.802 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 9.5 tttt -61.18 -48.8 79.89 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 107.282 -1.377 . . . . 99.99 107.282 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.466 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 2.3 m-30 -52.05 -30.94 27.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.645 -1.162 . . . . 99.99 110.55 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.725 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -62.59 -36.5 82.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.683 -0.858 . . . . 99.99 108.683 178.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.802 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.79 -40.37 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.705 0.764 . . . . 99.99 109.329 177.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.72 -35.96 65.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.789 -1.096 . . . . 99.99 111.587 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.659 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -85.29 -6.39 59.25 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.481 -0.888 . . . . 99.99 109.381 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -75.61 -45.32 38.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.689 -0.856 . . . . 99.99 108.689 178.033 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.49 -57.03 12.68 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 108.564 -0.902 . . . . 99.99 108.564 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.464 ' CA ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -58.43 -48.84 79.4 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 114.39 -1.277 . . . . 99.99 110.178 178.272 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.51 -63.65 0.2 Allowed 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.542 -0.753 . . . . 99.99 110.879 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -80.88 0.32 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.193 0.812 . . . . 99.99 113.193 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -95.82 -80.82 0.42 Allowed 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 112.921 0.712 . . . . 99.99 112.921 -178.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 155.78 -22.25 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.126 -1.397 . . . . 99.99 109.212 -178.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.353 0 C-N-CA 121.132 -0.556 . . . . 99.99 112.297 179.84 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.999 0.428 . . . . 99.99 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.731 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -175.2 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 99.99 110.737 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 5.8 m-30 -56.1 -21.96 25.24 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.375 -0.53 . . . . 99.99 110.431 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.638 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.49 -29.06 70.11 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.073 -1.084 . . . . 99.99 108.073 177.52 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.731 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -67.78 -35.46 78.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.806 -1.088 . . . . 99.99 108.278 176.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 4.3 m-30 -59.44 -50.06 75.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 114.809 -1.087 . . . . 99.99 111.225 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.24 -27.23 65.59 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.789 -0.765 . . . . 99.99 109.401 179.19 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.94 -55.25 37.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.479 0.657 . . . . 99.99 109.443 178.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.75 -28.22 64.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.5 -0.773 . . . . 99.99 109.272 178.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.89 -12.81 59.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.446 -0.797 . . . . 99.99 110.721 179.319 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -79.81 -40.74 27.91 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.052 -0.721 . . . . 99.99 109.052 179.31 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.75 -59.49 4.95 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.957 -1.127 . . . . 99.99 107.957 177.455 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.589 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.33 -42.22 93.13 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 113.582 -1.645 . . . . 99.99 110.443 178.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -34.07 -63.78 0.26 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.916 -0.584 . . . . 99.99 109.444 179.549 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -81.41 0.33 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.811 -0.631 . . . . 99.99 112.384 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -97.09 -82.14 0.41 Allowed 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.934 0.873 . . . . 99.99 113.208 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.72 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 159.78 -23.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.556 -1.657 . . . . 99.99 109.443 -178.477 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 99.99 112.707 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.904 0.383 . . . . 99.99 110.774 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -177.41 -27.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 99.99 111.689 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 16.4 m-30 -75.67 -9.53 58.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.535 0.683 . . . . 99.99 111.412 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.721 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -84.92 -18.95 33.04 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.328 -1.36 . . . . 99.99 107.328 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.685 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -73.78 -65.31 0.84 Allowed 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 113.718 -1.583 . . . . 99.99 108.947 177.605 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.643 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.14 -26.1 59.98 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.93 -0.708 . . . . 99.99 110.8 -178.695 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.721 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.22 -30.79 69.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.713 -1.217 . . . . 99.99 107.713 176.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.38 -43.87 79.66 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.72 -0.845 . . . . 99.99 108.72 177.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -35.1 68.73 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.887 -1.051 . . . . 99.99 109.771 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.7 tt -75.01 -15.68 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.462 -0.79 . . . . 99.99 110.241 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -75.29 -41.58 56.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.369 0.604 . . . . 99.99 109.414 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -59.49 -54.78 42.62 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.068 -0.969 . . . . 99.99 109.228 178.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.77 -43.38 79.93 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 114.534 -1.212 . . . . 99.99 109.851 178.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -33.84 -57.66 0.45 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.424 -0.807 . . . . 99.99 110.062 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -91.03 -81.5 0.31 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.836 -0.62 . . . . 99.99 111.977 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.37 -80.98 0.41 Allowed 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 112.932 0.716 . . . . 99.99 112.932 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 157.01 -23.53 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.465 -1.243 . . . . 99.99 109.157 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.981 -0.628 . . . . 99.99 112.128 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.718 0.294 . . . . 99.99 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.757 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 35.1 tp 178.01 -74.74 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 121.531 0.681 . . . . 99.99 111.539 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 5.5 m-30 -64.18 -19.16 65.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.373 0.606 . . . . 99.99 111.494 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.905 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -80.15 -28.58 38.83 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.356 -1.72 . . . . 99.99 106.356 176.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.757 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -64.58 -52.5 57.25 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 114.186 -1.37 . . . . 99.99 109.432 176.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -70.1 -18.33 63.24 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.538 -1.265 . . . . 99.99 112.754 -177.317 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.905 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.74 -20.84 61.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 105.92 -1.882 . . . . 99.99 105.92 174.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.705 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -54.91 -62.64 1.52 Allowed 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.475 -1.305 . . . . 99.99 107.475 175.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -61.82 -31.12 71.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.546 -1.661 . . . . 99.99 110.576 179.556 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.554 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -80.35 -5.83 57.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.144 -0.48 . . . . 99.99 110.721 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -86.99 -40.49 14.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.827 -0.434 . . . . 99.99 109.827 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' CE ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.19 -45.62 84.06 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.437 -0.949 . . . . 99.99 108.437 178.358 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 17' ' ' LEU . 12.7 t -72.86 -29.7 63.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.758 -1.11 . . . . 99.99 110.059 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -49.72 -49.33 48.35 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.446 -0.576 . . . . 99.99 109.446 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.557 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 10.3 tmtt? -91.57 -80.91 0.34 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.382 -0.826 . . . . 99.99 111.62 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -93.6 -80.67 0.38 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 112.265 0.468 . . . . 99.99 112.265 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 151.03 -21.65 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.318 -0.856 . . . . 99.99 110.348 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.645 -0.788 . . . . 99.99 112.417 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.714 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -52.79 -28.17 21.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.715 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -31.75 63.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.714 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -66.43 -46.74 75.47 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 176.41 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.472 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -52.1 -37.83 55.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.126 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.715 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.98 -31.08 71.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.699 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.56 -48.61 78.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.8 0.809 . . . . 0.0 109.179 178.12 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' NZ ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.55 -27.48 55.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.701 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.51 -19.46 49.59 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.799 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -75.3 -42.0 55.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.38 -58.04 9.99 Favored 'General case' 0 C--O 1.247 0.959 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.813 178.148 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -64.58 -47.65 77.88 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.435 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -33.12 -57.49 0.39 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.706 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.58 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -90.53 -80.82 0.32 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.044 -179.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.623 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.83 -80.96 0.4 Allowed 'General case' 0 C--O 1.23 0.057 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.021 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 4.0 pp 153.24 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.726 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.609 -0.805 . . . . 99.99 112.435 179.671 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.2 0.524 . . . . 0.0 111.393 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.5 m-30 -52.01 -26.73 11.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.719 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.812 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.77 -38.91 70.51 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.36 1.076 . . . . 0.0 108.107 177.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.883 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -59.37 -45.39 91.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 176.615 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 1.4 m-30 -57.56 -20.02 29.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.041 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.812 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.39 -36.03 65.99 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.272 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.883 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.88 -43.21 81.03 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.769 0.795 . . . . 0.0 109.483 178.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HD2' ' CE ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.98 -29.97 28.59 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.221 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.2 tp -83.12 0.35 45.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.358 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.795 HD12 ' HE3' ' A' ' 7' ' ' LYS . 5.5 mt -90.57 -55.52 3.55 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.256 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CE ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -60.48 -45.87 92.15 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.26 -46.04 82.12 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.753 178.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.23 -57.26 1.11 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.463 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -81.57 0.31 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.369 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.79 -80.34 0.41 Allowed 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.248 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 155.02 -22.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.687 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.372 0 C-N-CA 121.029 -0.605 . . . . 99.99 112.439 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 4.8 tp . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.28 0.562 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -54.13 -21.66 9.23 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.17 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -60.17 -31.46 70.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.159 0.981 . . . . 0.0 108.502 177.713 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -68.79 -39.59 80.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.136 177.33 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.506 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 4.0 m-30 -58.73 -40.1 82.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.263 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.07 -32.83 72.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.88 -53.5 51.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.654 0.74 . . . . 0.0 109.101 177.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.54 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.22 -24.06 57.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.747 178.715 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -84.6 -6.43 59.37 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.012 179.516 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -90.8 -42.73 10.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HE2' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -62.98 -54.26 41.14 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.33 -48.71 76.87 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.692 177.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.14 -58.76 0.3 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.639 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -91.12 -81.15 0.32 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -94.42 -80.55 0.4 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.12 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 153.78 -20.25 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.175 -178.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.486 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.915 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 6.7 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.294 0.569 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 5.7 m-30 -50.07 -28.63 7.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.719 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -56.06 -36.37 67.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.235 1.016 . . . . 0.0 108.493 178.108 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.901 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.2 ttmp? -61.46 -47.37 86.01 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.0 m-30 -54.96 -26.48 36.77 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.781 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.028 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.901 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.73 -44.97 90.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.702 0.763 . . . . 0.0 109.19 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.61 -29.84 52.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.161 179.012 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -78.19 -20.27 52.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.335 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.23 -43.36 42.48 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.467 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.798 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -59.67 -57.46 12.84 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.031 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.646 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 1.4 m -65.22 -40.5 94.2 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.266 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -37.02 -63.08 0.45 Allowed 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -91.48 -81.42 0.32 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.202 179.565 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 3.8 tpt180 -96.37 -81.69 0.41 Allowed 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.868 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 158.15 -21.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.765 -178.556 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.874 -0.679 . . . . 99.99 112.298 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 5.7 tp . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 121.252 0.549 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.501 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.6 m-30 -49.43 -29.46 6.52 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.901 0.382 . . . . 0.0 110.686 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.534 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.16 -38.32 62.64 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.899 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -59.56 -49.85 76.19 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 176.502 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.3 m-30 -52.65 -22.07 4.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.33 -36.59 66.22 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.899 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.86 -41.83 67.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.112 0.958 . . . . 0.0 108.792 178.444 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' HD2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -83.14 -37.32 23.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.972 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.9 tp -73.08 -14.06 61.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 7' ' ' LYS . 7.4 mt -80.05 -54.52 5.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.307 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -49.81 -50.67 44.21 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.936 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.67 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.22 -41.59 66.71 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.047 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.49 -56.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.507 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 -81.97 0.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.375 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.63 HH21 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -96.44 -81.79 0.41 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.75 0.786 . . . . 0.0 113.047 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 156.83 -22.1 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.849 -1.523 . . . . 0.0 109.372 -178.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.402 0 C-N-CA 121.055 -0.593 . . . . 99.99 112.263 179.509 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.602 0.715 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 9.9 m-30 -51.06 -30.89 17.04 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.89 -34.78 63.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.204 1.002 . . . . 0.0 108.438 178.147 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.885 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.96 -48.07 83.52 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 176.512 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.4 m-30 -53.15 -26.96 18.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.743 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.77 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -66.47 -34.48 78.03 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.885 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.69 -45.63 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.624 0.726 . . . . 0.0 109.616 177.746 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.64 -23.97 42.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.137 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -82.6 -18.86 39.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -77.95 -42.0 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.694 ' HG2' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.48 -56.96 15.07 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.279 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.694 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.47 -42.77 98.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.328 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -36.46 -64.18 0.35 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.612 179.487 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.9 tmtt? -91.57 -82.07 0.31 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.47 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -97.47 -81.51 0.43 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.827 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 160.25 -24.68 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.616 -178.671 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.091 -0.576 . . . . 99.99 112.167 179.811 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 3.4 tp . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.285 0.564 . . . . 0.0 111.402 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.483 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 5.3 m-30 -50.61 -27.29 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.753 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.5 -36.9 64.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.047 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.815 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 9.5 tttt -61.18 -48.8 79.89 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.487 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-30 -52.05 -30.94 27.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.645 -1.162 . . . . 0.0 110.55 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.753 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -62.59 -36.5 82.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.717 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.891 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.79 -40.37 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.705 0.764 . . . . 0.0 109.329 177.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.605 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.72 -35.96 65.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.587 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -85.29 -6.39 59.25 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.381 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.891 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -75.61 -45.32 38.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.033 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.49 -57.03 12.68 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.484 ' CA ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -58.43 -48.84 79.4 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.178 178.272 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.51 -63.65 0.2 Allowed 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.879 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -80.88 0.32 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -95.82 -80.82 0.42 Allowed 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.609 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 155.78 -22.25 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.212 -178.515 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.353 0 C-N-CA 121.132 -0.556 . . . . 99.99 112.297 179.84 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.41 0.624 . . . . 0.0 110.737 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.483 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 5.8 m-30 -56.1 -21.96 25.24 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.431 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.65 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.49 -29.06 70.11 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.52 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.726 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -67.78 -35.46 78.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.278 176.573 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 4.3 m-30 -59.44 -50.06 75.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.225 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.65 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.24 -27.23 65.59 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.789 -0.765 . . . . 0.0 109.401 179.19 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.827 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.94 -55.25 37.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.479 0.657 . . . . 0.0 109.443 178.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.75 -28.22 64.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.272 178.701 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.89 -12.81 59.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.721 179.319 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -79.81 -40.74 27.91 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.31 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.75 -59.49 4.95 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.455 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.589 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.33 -42.22 93.13 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 113.582 -1.645 . . . . 0.0 110.443 178.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -34.07 -63.78 0.26 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.444 179.549 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -81.41 0.33 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.384 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.522 HH21 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -97.09 -82.14 0.41 Allowed 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.934 0.873 . . . . 0.0 113.208 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.908 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 159.78 -23.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.443 -178.477 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 99.99 112.707 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 121.132 0.491 . . . . 0.0 111.689 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 16.4 m-30 -75.67 -9.53 58.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.535 0.683 . . . . 0.0 111.412 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.75 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -84.92 -18.95 33.04 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.676 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -73.78 -65.31 0.84 Allowed 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.947 177.605 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.643 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.14 -26.1 59.98 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.8 -178.695 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.75 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.22 -30.79 69.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 176.404 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.824 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -56.38 -43.87 79.66 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 177.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -35.1 68.73 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.771 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.7 tt -75.01 -15.68 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.241 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -75.29 -41.58 56.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.369 0.604 . . . . 0.0 109.414 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -59.49 -54.78 42.62 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.228 178.501 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.77 -43.38 79.93 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.851 178.564 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -33.84 -57.66 0.45 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.062 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -91.03 -81.5 0.31 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.977 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.37 -80.98 0.41 Allowed 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.799 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 157.01 -23.53 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.157 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.981 -0.628 . . . . 99.99 112.128 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.735 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 35.1 tp . . . . . 0 C--O 1.224 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.577 ' CE1' HD23 ' A' ' 2' ' ' LEU . 5.5 m-30 -64.18 -19.16 65.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.373 0.606 . . . . 0.0 111.494 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.932 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -80.15 -28.58 38.83 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.767 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.735 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -64.58 -52.5 57.25 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.432 176.336 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -70.1 -18.33 63.24 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.538 -1.265 . . . . 0.0 112.754 -177.317 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.932 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.74 -20.84 61.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 174.771 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.75 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.91 -62.64 1.52 Allowed 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 175.485 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -61.82 -31.12 71.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.576 179.556 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -80.35 -5.83 57.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.721 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -86.99 -40.49 14.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' CE ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.19 -45.62 84.06 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.358 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 17' ' ' LEU . 12.7 t -72.86 -29.7 63.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.059 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.577 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -49.72 -49.33 48.35 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 10.3 tmtt? -91.57 -80.91 0.34 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.62 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -93.6 -80.67 0.38 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 151.03 -21.65 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.348 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.645 -0.788 . . . . 99.99 112.417 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.778 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.908 0.385 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 175.3 -31.45 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.309 0.576 . . . . 0.0 110.968 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -52.79 -28.17 21.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.715 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -31.75 63.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.714 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -66.43 -46.74 75.47 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 176.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -52.1 -37.83 55.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.126 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.715 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.98 -31.08 71.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.699 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.56 -48.61 78.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.8 0.809 . . . . 0.0 109.179 178.12 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' NZ ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.55 -27.48 55.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.701 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.51 -19.46 49.59 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.799 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -75.3 -42.0 55.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.38 -58.04 9.99 Favored 'General case' 0 C--O 1.247 0.959 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.813 178.148 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -64.58 -47.65 77.88 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.435 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -33.12 -57.49 0.39 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.706 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -90.53 -80.82 0.32 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.044 -179.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.623 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.83 -80.96 0.4 Allowed 'General case' 0 C--O 1.23 0.057 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.021 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 4.0 pp 153.24 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.726 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.609 -0.805 . . . . 99.99 112.435 179.671 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.713 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.897 0.379 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.713 HD23 ' C ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -169.1 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.2 0.524 . . . . 0.0 111.393 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.5 m-30 -52.01 -26.73 11.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.719 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.812 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.77 -38.91 70.51 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.36 1.076 . . . . 0.0 108.107 177.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.883 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -59.37 -45.39 91.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 176.615 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 1.4 m-30 -57.56 -20.02 29.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.041 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.812 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.39 -36.03 65.99 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.272 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.883 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.88 -43.21 81.03 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.769 0.795 . . . . 0.0 109.483 178.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HD2' ' CE ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.98 -29.97 28.59 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.221 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.2 tp -83.12 0.35 45.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.358 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.795 HD12 ' HE3' ' A' ' 7' ' ' LYS . 5.5 mt -90.57 -55.52 3.55 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.256 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CE ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -60.48 -45.87 92.15 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.26 -46.04 82.12 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.753 178.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.23 -57.26 1.11 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.463 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -81.57 0.31 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.369 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.79 -80.34 0.41 Allowed 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.248 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 155.02 -22.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.687 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.372 0 C-N-CA 121.029 -0.605 . . . . 99.99 112.439 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.68 0.276 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 4.8 tp -170.99 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.28 0.562 . . . . 0.0 112.437 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -54.13 -21.66 9.23 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.17 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -60.17 -31.46 70.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.159 0.981 . . . . 0.0 108.502 177.713 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -68.79 -39.59 80.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.136 177.33 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.506 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 4.0 m-30 -58.73 -40.1 82.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.263 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.07 -32.83 72.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.88 -53.5 51.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.654 0.74 . . . . 0.0 109.101 177.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.54 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.22 -24.06 57.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.747 178.715 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -84.6 -6.43 59.37 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.012 179.516 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -90.8 -42.73 10.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HE2' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -62.98 -54.26 41.14 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.33 -48.71 76.87 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.692 177.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.14 -58.76 0.3 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.639 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -91.12 -81.15 0.32 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -94.42 -80.55 0.4 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.12 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 153.78 -20.25 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.175 -178.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.486 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.915 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.963 0.411 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 6.7 tp -173.82 -33.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.741 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 5.7 m-30 -50.07 -28.63 7.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.719 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -56.06 -36.37 67.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.235 1.016 . . . . 0.0 108.493 178.108 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.901 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.2 ttmp? -61.46 -47.37 86.01 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.0 m-30 -54.96 -26.48 36.77 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.781 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.028 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.901 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.73 -44.97 90.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.702 0.763 . . . . 0.0 109.19 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.61 -29.84 52.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.161 179.012 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -78.19 -20.27 52.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.335 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.23 -43.36 42.48 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.467 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.798 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -59.67 -57.46 12.84 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.031 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.646 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 1.4 m -65.22 -40.5 94.2 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.266 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -37.02 -63.08 0.45 Allowed 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -91.48 -81.42 0.32 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.202 179.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 3.8 tpt180 -96.37 -81.69 0.41 Allowed 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.868 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 158.15 -21.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.765 -178.556 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.874 -0.679 . . . . 99.99 112.298 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.844 0.354 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 5.7 tp -175.93 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.252 0.549 . . . . 0.0 111.383 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.501 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.6 m-30 -49.43 -29.46 6.52 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.901 0.382 . . . . 0.0 110.686 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.534 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.16 -38.32 62.64 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.899 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -59.56 -49.85 76.19 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 176.502 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.3 m-30 -52.65 -22.07 4.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.33 -36.59 66.22 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.899 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.86 -41.83 67.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.112 0.958 . . . . 0.0 108.792 178.444 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' HD2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -83.14 -37.32 23.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.972 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.9 tp -73.08 -14.06 61.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 7' ' ' LYS . 7.4 mt -80.05 -54.52 5.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.307 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -49.81 -50.67 44.21 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.936 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.67 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.22 -41.59 66.71 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.047 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.49 -56.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.507 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 -81.97 0.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.375 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.63 HH21 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -96.44 -81.79 0.41 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.75 0.786 . . . . 0.0 113.047 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 156.83 -22.1 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.849 -1.523 . . . . 0.0 109.372 -178.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.402 0 C-N-CA 121.055 -0.593 . . . . 99.99 112.263 179.509 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.721 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.838 0.351 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -178.18 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.801 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 9.9 m-30 -51.06 -30.89 17.04 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.89 -34.78 63.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.204 1.002 . . . . 0.0 108.438 178.147 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.885 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.96 -48.07 83.52 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 176.512 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.4 m-30 -53.15 -26.96 18.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.743 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.77 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -66.47 -34.48 78.03 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.885 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.69 -45.63 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.624 0.726 . . . . 0.0 109.616 177.746 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.64 -23.97 42.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.137 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -82.6 -18.86 39.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -77.95 -42.0 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.694 ' HG2' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.48 -56.96 15.07 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.279 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.694 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.47 -42.77 98.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.328 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -36.46 -64.18 0.35 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.612 179.487 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.9 tmtt? -91.57 -82.07 0.31 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.47 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -97.47 -81.51 0.43 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.827 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 160.25 -24.68 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.616 -178.671 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.091 -0.576 . . . . 99.99 112.167 179.811 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 3.4 tp -174.59 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.285 0.564 . . . . 0.0 111.402 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 5.3 m-30 -50.61 -27.29 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.753 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.5 -36.9 64.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.047 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.815 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 9.5 tttt -61.18 -48.8 79.89 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-30 -52.05 -30.94 27.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.645 -1.162 . . . . 0.0 110.55 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.753 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -62.59 -36.5 82.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.891 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.79 -40.37 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.705 0.764 . . . . 0.0 109.329 177.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.605 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.72 -35.96 65.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.587 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -85.29 -6.39 59.25 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.381 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.891 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -75.61 -45.32 38.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.033 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.49 -57.03 12.68 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.484 ' CA ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -58.43 -48.84 79.4 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.178 178.272 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.51 -63.65 0.2 Allowed 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.879 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -80.88 0.32 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -95.82 -80.82 0.42 Allowed 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.609 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 155.78 -22.25 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.212 -178.515 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.353 0 C-N-CA 121.132 -0.556 . . . . 99.99 112.297 179.84 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.653 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -175.2 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.737 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 5.8 m-30 -56.1 -21.96 25.24 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.431 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.65 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.49 -29.06 70.11 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.52 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.726 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -67.78 -35.46 78.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.278 176.573 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 4.3 m-30 -59.44 -50.06 75.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.225 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.65 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.24 -27.23 65.59 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.789 -0.765 . . . . 0.0 109.401 179.19 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.827 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.94 -55.25 37.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.479 0.657 . . . . 0.0 109.443 178.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.75 -28.22 64.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.272 178.701 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.89 -12.81 59.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.721 179.319 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -79.81 -40.74 27.91 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.31 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.75 -59.49 4.95 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.455 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.589 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.33 -42.22 93.13 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 113.582 -1.645 . . . . 0.0 110.443 178.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -34.07 -63.78 0.26 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.444 179.549 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -81.41 0.33 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.384 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.522 HH21 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -97.09 -82.14 0.41 Allowed 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.934 0.873 . . . . 0.0 113.208 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.908 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 159.78 -23.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.443 -178.477 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 99.99 112.707 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.682 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.904 0.383 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -177.41 -27.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.689 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 16.4 m-30 -75.67 -9.53 58.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.535 0.683 . . . . 0.0 111.412 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.75 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -84.92 -18.95 33.04 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.676 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -73.78 -65.31 0.84 Allowed 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.947 177.605 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.643 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.14 -26.1 59.98 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.8 -178.695 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.75 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.22 -30.79 69.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 176.404 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.824 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -56.38 -43.87 79.66 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 177.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -35.1 68.73 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.771 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.7 tt -75.01 -15.68 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.241 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -75.29 -41.58 56.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.369 0.604 . . . . 0.0 109.414 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -59.49 -54.78 42.62 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.228 178.501 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.77 -43.38 79.93 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.851 178.564 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -33.84 -57.66 0.45 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.062 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -91.03 -81.5 0.31 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.977 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.37 -80.98 0.41 Allowed 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.799 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 157.01 -23.53 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.157 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.981 -0.628 . . . . 99.99 112.128 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' CA ' ' HE3' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.718 0.294 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.735 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 35.1 tp 178.01 -74.74 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 111.539 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.577 ' CE1' HD23 ' A' ' 2' ' ' LEU . 5.5 m-30 -64.18 -19.16 65.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.373 0.606 . . . . 0.0 111.494 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.932 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -80.15 -28.58 38.83 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.767 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.735 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -64.58 -52.5 57.25 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.432 176.336 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -70.1 -18.33 63.24 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.538 -1.265 . . . . 0.0 112.754 -177.317 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.932 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.74 -20.84 61.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 174.771 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.75 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.91 -62.64 1.52 Allowed 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 175.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -61.82 -31.12 71.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.576 179.556 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -80.35 -5.83 57.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.721 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -86.99 -40.49 14.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' CE ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.19 -45.62 84.06 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.358 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 17' ' ' LEU . 12.7 t -72.86 -29.7 63.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.059 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.577 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -49.72 -49.33 48.35 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 10.3 tmtt? -91.57 -80.91 0.34 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.62 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -93.6 -80.67 0.38 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 151.03 -21.65 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.348 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.645 -0.788 . . . . 99.99 112.417 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.714 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -52.79 -28.17 21.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.715 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -31.75 63.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.714 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -66.43 -46.74 75.47 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 176.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.472 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -52.1 -37.83 55.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.126 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.715 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.98 -31.08 71.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.699 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.56 -48.61 78.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.8 0.809 . . . . 0.0 109.179 178.12 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' NZ ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.55 -27.48 55.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.701 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.51 -19.46 49.59 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.799 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -75.3 -42.0 55.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.38 -58.04 9.99 Favored 'General case' 0 C--O 1.247 0.959 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.813 178.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -64.58 -47.65 77.88 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.435 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -33.12 -57.49 0.39 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.706 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.58 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -90.53 -80.82 0.32 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.044 -179.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.623 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.83 -80.96 0.4 Allowed 'General case' 0 C--O 1.23 0.057 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.021 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 4.0 pp 153.24 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.726 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.609 -0.805 . . . . 99.989999999999995 112.435 179.671 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.2 0.524 . . . . 0.0 111.393 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.5 m-30 -52.01 -26.73 11.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.719 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.812 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.77 -38.91 70.51 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.36 1.076 . . . . 0.0 108.107 177.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.883 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -59.37 -45.39 91.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 176.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 1.4 m-30 -57.56 -20.02 29.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.041 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.812 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.39 -36.03 65.99 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.272 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.883 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.88 -43.21 81.03 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.769 0.795 . . . . 0.0 109.483 178.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HD2' ' CE ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.98 -29.97 28.59 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.221 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.2 tp -83.12 0.35 45.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.358 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.795 HD12 ' HE3' ' A' ' 7' ' ' LYS . 5.5 mt -90.57 -55.52 3.55 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.256 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CE ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -60.48 -45.87 92.15 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.26 -46.04 82.12 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.753 178.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.23 -57.26 1.11 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.463 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -81.57 0.31 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.369 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.79 -80.34 0.41 Allowed 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.248 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 155.02 -22.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.687 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.372 0 C-N-CA 121.029 -0.605 . . . . 99.989999999999995 112.439 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 4.8 tp . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.28 0.562 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -54.13 -21.66 9.23 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.17 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -60.17 -31.46 70.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.159 0.981 . . . . 0.0 108.502 177.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -68.79 -39.59 80.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.136 177.33 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.506 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 4.0 m-30 -58.73 -40.1 82.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.263 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.07 -32.83 72.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.88 -53.5 51.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.654 0.74 . . . . 0.0 109.101 177.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.54 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.22 -24.06 57.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.747 178.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -84.6 -6.43 59.37 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.012 179.516 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -90.8 -42.73 10.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HE2' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -62.98 -54.26 41.14 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.33 -48.71 76.87 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.692 177.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.14 -58.76 0.3 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.639 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -91.12 -81.15 0.32 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -94.42 -80.55 0.4 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.12 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 153.78 -20.25 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.175 -178.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.486 0 CA-C-N 115.677 -0.692 . . . . 99.989999999999995 111.915 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 6.7 tp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.294 0.569 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 5.7 m-30 -50.07 -28.63 7.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.719 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -56.06 -36.37 67.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.235 1.016 . . . . 0.0 108.493 178.108 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.901 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.2 ttmp? -61.46 -47.37 86.01 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.0 m-30 -54.96 -26.48 36.77 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.781 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.028 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.901 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.73 -44.97 90.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.702 0.763 . . . . 0.0 109.19 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.61 -29.84 52.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.161 179.012 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -78.19 -20.27 52.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.335 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.23 -43.36 42.48 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.467 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.798 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -59.67 -57.46 12.84 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.031 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.646 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 1.4 m -65.22 -40.5 94.2 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.266 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -37.02 -63.08 0.45 Allowed 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -91.48 -81.42 0.32 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.202 179.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 3.8 tpt180 -96.37 -81.69 0.41 Allowed 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.868 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 158.15 -21.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.765 -178.556 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.874 -0.679 . . . . 99.989999999999995 112.298 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 5.7 tp . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 121.252 0.549 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.501 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.6 m-30 -49.43 -29.46 6.52 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.901 0.382 . . . . 0.0 110.686 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.534 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.16 -38.32 62.64 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.899 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -59.56 -49.85 76.19 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 176.502 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.3 m-30 -52.65 -22.07 4.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.33 -36.59 66.22 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.899 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.86 -41.83 67.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.112 0.958 . . . . 0.0 108.792 178.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' HD2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -83.14 -37.32 23.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.972 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.9 tp -73.08 -14.06 61.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 7' ' ' LYS . 7.4 mt -80.05 -54.52 5.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.307 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -49.81 -50.67 44.21 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.936 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.67 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.22 -41.59 66.71 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.047 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.49 -56.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.507 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 -81.97 0.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.375 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.63 HH21 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -96.44 -81.79 0.41 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.75 0.786 . . . . 0.0 113.047 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 156.83 -22.1 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.849 -1.523 . . . . 0.0 109.372 -178.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.402 0 C-N-CA 121.055 -0.593 . . . . 99.989999999999995 112.263 179.509 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.602 0.715 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 9.9 m-30 -51.06 -30.89 17.04 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.89 -34.78 63.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.204 1.002 . . . . 0.0 108.438 178.147 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.885 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.96 -48.07 83.52 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 176.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.4 m-30 -53.15 -26.96 18.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.743 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.77 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -66.47 -34.48 78.03 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.885 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.69 -45.63 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.624 0.726 . . . . 0.0 109.616 177.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.64 -23.97 42.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.137 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -82.6 -18.86 39.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -77.95 -42.0 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.694 ' HG2' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.48 -56.96 15.07 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.279 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.694 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.47 -42.77 98.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.328 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -36.46 -64.18 0.35 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.612 179.487 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.9 tmtt? -91.57 -82.07 0.31 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.47 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -97.47 -81.51 0.43 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.827 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 160.25 -24.68 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.616 -178.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.091 -0.576 . . . . 99.989999999999995 112.167 179.811 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 3.4 tp . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.285 0.564 . . . . 0.0 111.402 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.483 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 5.3 m-30 -50.61 -27.29 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.753 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.5 -36.9 64.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.815 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 9.5 tttt -61.18 -48.8 79.89 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.487 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-30 -52.05 -30.94 27.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.645 -1.162 . . . . 0.0 110.55 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.753 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -62.59 -36.5 82.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.891 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.79 -40.37 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.705 0.764 . . . . 0.0 109.329 177.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.605 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.72 -35.96 65.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.587 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -85.29 -6.39 59.25 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.381 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.891 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -75.61 -45.32 38.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.033 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.49 -57.03 12.68 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.484 ' CA ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -58.43 -48.84 79.4 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.178 178.272 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.51 -63.65 0.2 Allowed 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.879 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -80.88 0.32 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -95.82 -80.82 0.42 Allowed 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 155.78 -22.25 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.212 -178.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.353 0 C-N-CA 121.132 -0.556 . . . . 99.989999999999995 112.297 179.84 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.41 0.624 . . . . 0.0 110.737 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.483 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 5.8 m-30 -56.1 -21.96 25.24 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.431 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.65 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.49 -29.06 70.11 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.52 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.726 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -67.78 -35.46 78.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.278 176.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 4.3 m-30 -59.44 -50.06 75.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.225 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.65 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.24 -27.23 65.59 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.789 -0.765 . . . . 0.0 109.401 179.19 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.827 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.94 -55.25 37.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.479 0.657 . . . . 0.0 109.443 178.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.75 -28.22 64.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.272 178.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.89 -12.81 59.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.721 179.319 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -79.81 -40.74 27.91 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.31 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.75 -59.49 4.95 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.455 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.589 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.33 -42.22 93.13 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 113.582 -1.645 . . . . 0.0 110.443 178.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -34.07 -63.78 0.26 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.444 179.549 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -81.41 0.33 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.384 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.522 HH21 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -97.09 -82.14 0.41 Allowed 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.934 0.873 . . . . 0.0 113.208 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.908 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 159.78 -23.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.443 -178.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 99.989999999999995 112.707 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 121.132 0.491 . . . . 0.0 111.689 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 16.4 m-30 -75.67 -9.53 58.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.535 0.683 . . . . 0.0 111.412 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.75 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -84.92 -18.95 33.04 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.676 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -73.78 -65.31 0.84 Allowed 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.947 177.605 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.643 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.14 -26.1 59.98 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.8 -178.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.75 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.22 -30.79 69.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 176.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.824 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -56.38 -43.87 79.66 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 177.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -35.1 68.73 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.771 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.7 tt -75.01 -15.68 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.241 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -75.29 -41.58 56.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.369 0.604 . . . . 0.0 109.414 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -59.49 -54.78 42.62 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.228 178.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.77 -43.38 79.93 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.851 178.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -33.84 -57.66 0.45 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.062 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -91.03 -81.5 0.31 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.977 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.37 -80.98 0.41 Allowed 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.799 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 157.01 -23.53 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.157 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.981 -0.628 . . . . 99.989999999999995 112.128 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.735 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 35.1 tp . . . . . 0 C--O 1.224 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.577 ' CE1' HD23 ' A' ' 2' ' ' LEU . 5.5 m-30 -64.18 -19.16 65.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.373 0.606 . . . . 0.0 111.494 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.932 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -80.15 -28.58 38.83 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.735 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -64.58 -52.5 57.25 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.432 176.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -70.1 -18.33 63.24 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.538 -1.265 . . . . 0.0 112.754 -177.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.932 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.74 -20.84 61.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 174.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.75 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.91 -62.64 1.52 Allowed 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 175.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -61.82 -31.12 71.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.576 179.556 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -80.35 -5.83 57.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.721 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -86.99 -40.49 14.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' CE ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.19 -45.62 84.06 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.358 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 17' ' ' LEU . 12.7 t -72.86 -29.7 63.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.059 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.577 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -49.72 -49.33 48.35 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 10.3 tmtt? -91.57 -80.91 0.34 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.62 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -93.6 -80.67 0.38 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 151.03 -21.65 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.348 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.645 -0.788 . . . . 99.989999999999995 112.417 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.778 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.908 0.385 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 175.3 -31.45 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.309 0.576 . . . . 0.0 110.968 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -52.79 -28.17 21.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.817 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.715 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -31.75 63.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.714 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -66.43 -46.74 75.47 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 176.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -52.1 -37.83 55.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.126 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.715 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.98 -31.08 71.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.699 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.56 -48.61 78.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.8 0.809 . . . . 0.0 109.179 178.12 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' NZ ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.55 -27.48 55.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.701 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.51 -19.46 49.59 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.799 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -75.3 -42.0 55.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.38 -58.04 9.99 Favored 'General case' 0 C--O 1.247 0.959 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.813 178.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -64.58 -47.65 77.88 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.435 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -33.12 -57.49 0.39 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.706 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -90.53 -80.82 0.32 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.044 -179.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.623 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.83 -80.96 0.4 Allowed 'General case' 0 C--O 1.23 0.057 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.021 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 4.0 pp 153.24 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.726 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.609 -0.805 . . . . 99.989999999999995 112.435 179.671 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.713 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.897 0.379 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.713 HD23 ' C ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -169.1 -35.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.2 0.524 . . . . 0.0 111.393 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.5 m-30 -52.01 -26.73 11.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.719 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.812 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.77 -38.91 70.51 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.36 1.076 . . . . 0.0 108.107 177.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.883 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -59.37 -45.39 91.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 176.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 1.4 m-30 -57.56 -20.02 29.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.041 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.812 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.39 -36.03 65.99 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.272 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.883 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.88 -43.21 81.03 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.769 0.795 . . . . 0.0 109.483 178.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HD2' ' CE ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.98 -29.97 28.59 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.221 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.2 tp -83.12 0.35 45.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.358 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.795 HD12 ' HE3' ' A' ' 7' ' ' LYS . 5.5 mt -90.57 -55.52 3.55 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.256 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CE ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -60.48 -45.87 92.15 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.438 ' CB ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.26 -46.04 82.12 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.753 178.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.23 -57.26 1.11 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.463 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -81.57 0.31 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.369 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -94.79 -80.34 0.41 Allowed 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.248 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 155.02 -22.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.687 -178.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.372 0 C-N-CA 121.029 -0.605 . . . . 99.989999999999995 112.439 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.68 0.276 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 4.8 tp -170.99 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.28 0.562 . . . . 0.0 112.437 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 3.1 m-30 -54.13 -21.66 9.23 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.17 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -60.17 -31.46 70.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.159 0.981 . . . . 0.0 108.502 177.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -68.79 -39.59 80.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.136 177.33 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.506 ' CG ' ' HA ' ' A' ' 3' ' ' TYR . 4.0 m-30 -58.73 -40.1 82.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.263 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.07 -32.83 72.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.88 -53.5 51.66 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.654 0.74 . . . . 0.0 109.101 177.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.54 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -75.22 -24.06 57.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.747 178.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -84.6 -6.43 59.37 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.012 179.516 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -90.8 -42.73 10.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HE2' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -62.98 -54.26 41.14 Favored 'General case' 0 C--O 1.247 0.955 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -63.33 -48.71 76.87 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.692 177.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.62 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.14 -58.76 0.3 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.639 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -91.12 -81.15 0.32 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -94.42 -80.55 0.4 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.12 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 153.78 -20.25 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.175 -178.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.486 0 CA-C-N 115.677 -0.692 . . . . 99.989999999999995 111.915 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.963 0.411 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 6.7 tp -173.82 -33.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.741 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 5.7 m-30 -50.07 -28.63 7.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.842 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.719 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -56.06 -36.37 67.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.235 1.016 . . . . 0.0 108.493 178.108 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.901 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.2 ttmp? -61.46 -47.37 86.01 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.0 m-30 -54.96 -26.48 36.77 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.781 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -70.48 -31.44 68.57 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.028 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.901 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.73 -44.97 90.61 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.702 0.763 . . . . 0.0 109.19 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.61 -29.84 52.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.161 179.012 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -78.19 -20.27 52.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.335 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.23 -43.36 42.48 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.467 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.798 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -59.67 -57.46 12.84 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.031 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.646 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 1.4 m -65.22 -40.5 94.2 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.266 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -37.02 -63.08 0.45 Allowed 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -91.48 -81.42 0.32 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.202 179.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 3.8 tpt180 -96.37 -81.69 0.41 Allowed 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.868 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 158.15 -21.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.765 -178.556 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.874 -0.679 . . . . 99.989999999999995 112.298 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.844 0.354 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 5.7 tp -175.93 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.252 0.549 . . . . 0.0 111.383 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.501 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 8.6 m-30 -49.43 -29.46 6.52 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.901 0.382 . . . . 0.0 110.686 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.534 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.16 -38.32 62.64 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.899 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -59.56 -49.85 76.19 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 176.502 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.3 m-30 -52.65 -22.07 4.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.33 -36.59 66.22 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.899 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -53.86 -41.83 67.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.112 0.958 . . . . 0.0 108.792 178.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' HD2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -83.14 -37.32 23.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.972 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.9 tp -73.08 -14.06 61.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 7' ' ' LYS . 7.4 mt -80.05 -54.52 5.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.307 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -49.81 -50.67 44.21 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.936 179.59 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.67 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -72.22 -41.59 66.71 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.047 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.49 -56.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.507 179.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 -81.97 0.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.375 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.63 HH21 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -96.44 -81.79 0.41 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.75 0.786 . . . . 0.0 113.047 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 156.83 -22.1 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.849 -1.523 . . . . 0.0 109.372 -178.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.402 0 C-N-CA 121.055 -0.593 . . . . 99.989999999999995 112.263 179.509 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.721 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.838 0.351 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -178.18 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.801 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 9.9 m-30 -51.06 -30.89 17.04 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.89 -34.78 63.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.204 1.002 . . . . 0.0 108.438 178.147 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.885 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.96 -48.07 83.52 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 176.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.4 m-30 -53.15 -26.96 18.76 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.743 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.77 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -66.47 -34.48 78.03 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.885 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.69 -45.63 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.624 0.726 . . . . 0.0 109.616 177.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.64 -23.97 42.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.137 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.56 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 1.5 tp -82.6 -18.86 39.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.252 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -77.95 -42.0 34.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.694 ' HG2' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.48 -56.96 15.07 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.279 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.694 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -63.47 -42.77 98.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.328 178.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -36.46 -64.18 0.35 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.612 179.487 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB2' HD23 ' A' ' 14' ' ' LEU . 1.9 tmtt? -91.57 -82.07 0.31 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.47 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -97.47 -81.51 0.43 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.827 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 160.25 -24.68 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.616 -178.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.091 -0.576 . . . . 99.989999999999995 112.167 179.811 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 3.4 tp -174.59 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.285 0.564 . . . . 0.0 111.402 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' HA ' ' CG ' ' A' ' 6' ' ' PHE . 5.3 m-30 -50.61 -27.29 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.753 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -54.5 -36.9 64.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.815 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 9.5 tttt -61.18 -48.8 79.89 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 176.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' CZ ' HD23 ' A' ' 2' ' ' LEU . 2.3 m-30 -52.05 -30.94 27.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.645 -1.162 . . . . 0.0 110.55 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.753 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -62.59 -36.5 82.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.891 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.79 -40.37 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.705 0.764 . . . . 0.0 109.329 177.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.605 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.72 -35.96 65.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.587 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -85.29 -6.39 59.25 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.381 178.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.891 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -75.61 -45.32 38.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.033 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.49 -57.03 12.68 Favored 'General case' 0 C--O 1.253 1.282 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.484 ' CA ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -58.43 -48.84 79.4 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.178 178.272 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.51 -63.65 0.2 Allowed 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.879 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -80.88 0.32 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -95.82 -80.82 0.42 Allowed 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 155.78 -22.25 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.212 -178.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.353 0 C-N-CA 121.132 -0.556 . . . . 99.989999999999995 112.297 179.84 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.653 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -175.2 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.737 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 5.8 m-30 -56.1 -21.96 25.24 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.431 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.65 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.49 -29.06 70.11 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.52 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.726 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -67.78 -35.46 78.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.278 176.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 4.3 m-30 -59.44 -50.06 75.38 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.225 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.65 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.24 -27.23 65.59 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.789 -0.765 . . . . 0.0 109.401 179.19 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.827 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.94 -55.25 37.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.479 0.657 . . . . 0.0 109.443 178.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.75 -28.22 64.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.272 178.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -79.89 -12.81 59.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.721 179.319 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -79.81 -40.74 27.91 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.31 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.75 -59.49 4.95 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.455 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.589 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -65.33 -42.22 93.13 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 113.582 -1.645 . . . . 0.0 110.443 178.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -34.07 -63.78 0.26 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.444 179.549 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.65 -81.41 0.33 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.384 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.522 HH21 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -97.09 -82.14 0.41 Allowed 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.934 0.873 . . . . 0.0 113.208 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.908 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 159.78 -23.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.443 -178.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 99.989999999999995 112.707 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.682 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.904 0.383 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -177.41 -27.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.689 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 16.4 m-30 -75.67 -9.53 58.67 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.535 0.683 . . . . 0.0 111.412 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.75 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -84.92 -18.95 33.04 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.676 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -73.78 -65.31 0.84 Allowed 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.947 177.605 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.643 ' CE2' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -57.14 -26.1 59.98 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.8 -178.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.75 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -68.22 -30.79 69.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 176.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.824 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -56.38 -43.87 79.66 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 177.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -35.1 68.73 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.771 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 2.7 tt -75.01 -15.68 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.241 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -75.29 -41.58 56.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.369 0.604 . . . . 0.0 109.414 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -59.49 -54.78 42.62 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.228 178.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.77 -43.38 79.93 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.851 178.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.577 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -33.84 -57.66 0.45 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.062 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -91.03 -81.5 0.31 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.977 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -95.37 -80.98 0.41 Allowed 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.799 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 157.01 -23.53 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.157 -178.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 C-N-CA 120.981 -0.628 . . . . 99.989999999999995 112.128 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' CA ' ' HE3' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.718 0.294 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.735 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 35.1 tp 178.01 -74.74 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 111.539 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.577 ' CE1' HD23 ' A' ' 2' ' ' LEU . 5.5 m-30 -64.18 -19.16 65.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.373 0.606 . . . . 0.0 111.494 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.932 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -80.15 -28.58 38.83 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.735 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -64.58 -52.5 57.25 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.432 176.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -70.1 -18.33 63.24 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.538 -1.265 . . . . 0.0 112.754 -177.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.932 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -71.74 -20.84 61.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 174.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.75 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.91 -62.64 1.52 Allowed 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 175.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -61.82 -31.12 71.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.576 179.556 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -80.35 -5.83 57.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.721 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -86.99 -40.49 14.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' CE ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.19 -45.62 84.06 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.358 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 17' ' ' LEU . 12.7 t -72.86 -29.7 63.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.059 178.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.577 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -49.72 -49.33 48.35 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 10.3 tmtt? -91.57 -80.91 0.34 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.62 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -93.6 -80.67 0.38 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 151.03 -21.65 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.348 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.645 -0.788 . . . . 99.989999999999995 112.417 -179.96 . . . . . . . . 0 0 . 1 stop_ save_