data_1odq_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 1odq _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.719 0.771 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.0 -42.38 72.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.911 0.863 . . . . 0.0 110.983 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -69.72 -28.9 66.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.828 0.823 . . . . 0.0 111.287 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -67.27 -29.22 68.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.829 0.823 . . . . 0.0 111.318 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -74.98 -30.69 61.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.776 0.798 . . . . 0.0 111.464 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.92 -43.29 83.67 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.115 0.96 . . . . 0.0 110.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.2 -34.94 56.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.966 0.888 . . . . 0.0 111.244 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.96 83.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.895 0.855 . . . . 0.0 111.038 -174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -66.37 -33.91 76.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.037 0.922 . . . . 0.0 111.103 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -37.58 86.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.129 0.966 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.62 -41.46 83.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.342 1.068 . . . . 0.0 110.895 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.25 -19.82 63.93 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.07 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.754 ' O ' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -72.75 -34.71 67.2 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.904 0.859 . . . . 0.0 111.231 177.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -42.37 56.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.497 1.141 . . . . 0.0 110.867 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.13 -34.96 79.25 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.972 0.892 . . . . 0.0 110.986 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -111.57 34.93 3.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.042 0.925 . . . . 0.0 110.97 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.367 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 CA--C 1.511 -0.543 0 CA-C-O 121.938 0.875 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.803 HD11 HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.59 -52.5 65.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.947 0.88 . . . . 0.0 112.422 175.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.759 ' HG2' HD13 ' A' ' 5' ' ' LEU . 9.6 mtm180 -65.43 -29.06 69.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.729 0.776 . . . . 0.0 111.314 -174.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.53 -36.23 80.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.46 1.124 . . . . 0.0 110.45 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -68.74 -23.47 64.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.703 0.763 . . . . 0.0 111.56 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.803 HD11 HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -75.09 -41.04 59.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.257 1.027 . . . . 0.0 110.994 -175.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.19 2.72 56.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.1 -33.16 44.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.967 0.889 . . . . 0.0 111.105 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -68.43 -33.23 73.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.028 0.918 . . . . 0.0 111.14 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -42.74 88.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.111 0.958 . . . . 0.0 111.041 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.31 -40.96 86.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.243 1.021 . . . . 0.0 110.93 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -23.35 66.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.738 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.89 -43.64 71.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.075 0.94 . . . . 0.0 110.969 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -68.92 -40.45 79.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.176 0.988 . . . . 0.0 110.792 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.61 -35.19 80.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 0.0 111.202 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.44 -45.58 76.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.978 0.894 . . . . 0.0 110.979 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 177.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.591 0.71 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -59.85 -42.27 93.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 0.0 111.037 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -68.98 -31.8 70.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.846 0.831 . . . . 0.0 111.108 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.593 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 45.5 mt-30 -66.84 -33.24 75.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.944 0.878 . . . . 0.0 111.17 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 mtt-85 -72.71 -28.56 62.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.774 0.797 . . . . 0.0 111.479 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.546 HD11 ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -66.07 -43.36 87.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.3 1.048 . . . . 0.0 110.809 176.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.33 24.3 12.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.128 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 7' ' ' GLN . . . -100.09 -29.93 12.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.179 0.99 . . . . 0.0 110.768 174.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -69.24 -30.43 68.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.809 0.814 . . . . 0.0 111.579 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -44.55 74.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.563 1.173 . . . . 0.0 110.836 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -39.08 91.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.301 1.048 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.88 65.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.912 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -71.26 -45.33 63.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.15 0.976 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -70.97 -36.1 72.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.13 0.967 . . . . 0.0 110.764 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.66 -35.71 73.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.915 0.864 . . . . 0.0 111.256 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.41 56.48 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.932 0.872 . . . . 0.0 111.021 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.356 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.682 0.753 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -38.23 76.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.904 0.859 . . . . 0.0 111.092 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.544 ' HA ' HD11 ' A' ' 9' ' ' LEU . 12.1 mtm180 -72.13 -22.18 61.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.601 0.715 . . . . 0.0 111.858 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.502 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 6.3 mt-30 -69.66 -38.29 77.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.172 0.987 . . . . 0.0 110.8 174.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -70.84 -28.99 65.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.705 0.765 . . . . 0.0 111.455 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -65.15 -40.74 94.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.247 1.022 . . . . 0.0 110.795 178.162 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.4 23.74 12.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.057 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 7' ' ' GLN . . . -108.34 -28.68 9.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.106 0.955 . . . . 0.0 110.918 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt85 -70.21 -34.57 73.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.973 0.892 . . . . 0.0 111.269 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -40.52 94.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.149 0.976 . . . . 0.0 110.981 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -40.48 72.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.097 0.951 . . . . 0.0 111.022 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -21.8 62.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.426 0.631 . . . . 0.0 111.965 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -74.25 -40.8 62.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.99 0.9 . . . . 0.0 111.027 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -71.07 -42.93 68.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.179 0.99 . . . . 0.0 110.797 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.896 0.855 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -105.16 36.27 2.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.98 0.895 . . . . 0.0 111.086 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.404 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.097 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 121.319 0.58 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -33.58 67.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.535 0.683 . . . . 0.0 111.595 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -72.33 -30.87 65.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.891 0.853 . . . . 0.0 110.995 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -69.08 -32.8 72.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.396 1.093 . . . . 0.0 110.477 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -70.94 -29.24 65.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.943 0.878 . . . . 0.0 111.091 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.38 79.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.377 1.084 . . . . 0.0 110.885 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -29.96 55.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.559 0.695 . . . . 0.0 111.494 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -35.83 62.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.909 0.861 . . . . 0.0 111.114 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 tpt85 -70.15 -43.67 70.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.278 1.037 . . . . 0.0 110.849 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 13' ' ' LEU . 3.1 tp -56.12 -37.28 69.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.022 0.915 . . . . 0.0 111.306 176.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -69.23 -40.18 78.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.369 1.08 . . . . 0.0 110.897 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . . . -66.72 -21.94 66.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.45 -30.13 66.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -43.58 87.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.275 1.036 . . . . 0.0 110.476 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 7.7 pt-20 -88.46 -6.54 57.58 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.666 -175.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.06 44.45 2.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.957 0.885 . . . . 0.0 111.1 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.419 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -175.323 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 122.062 0.934 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -109.75 103.63 12.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.971 0.891 . . . . 0.0 111.064 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.28 39.65 1.15 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.161 0.981 . . . . 0.0 111.377 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -98.9 -28.56 13.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.719 0.771 . . . . 0.0 111.614 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.0 -42.38 72.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.911 0.863 . . . . 0.0 110.983 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -69.72 -28.9 66.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.828 0.823 . . . . 0.0 111.287 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -67.27 -29.22 68.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.829 0.823 . . . . 0.0 111.318 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -74.98 -30.69 61.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.776 0.798 . . . . 0.0 111.464 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.92 -43.29 83.67 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.115 0.96 . . . . 0.0 110.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.2 -34.94 56.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.966 0.888 . . . . 0.0 111.244 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.96 83.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.895 0.855 . . . . 0.0 111.038 -174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -66.37 -33.91 76.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.037 0.922 . . . . 0.0 111.103 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -37.58 86.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.129 0.966 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.62 -41.46 83.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.342 1.068 . . . . 0.0 110.895 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.25 -19.82 63.93 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.07 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.754 ' O ' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -72.75 -34.71 67.2 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.904 0.859 . . . . 0.0 111.231 177.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -42.37 56.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.497 1.141 . . . . 0.0 110.867 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.13 -34.96 79.25 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.972 0.892 . . . . 0.0 110.986 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -111.57 34.93 3.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.042 0.925 . . . . 0.0 110.97 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.367 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.667 ' HE2' ' HB3' ' A' ' 3' ' ' ASP . 10.8 p90 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.905 0.859 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.98 101.13 9.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.048 0.928 . . . . 0.0 110.959 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.667 ' HB3' ' HE2' ' A' ' 1' ' ' TYR . 1.2 p-10 -95.36 38.83 1.13 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.889 0.852 . . . . 0.0 111.397 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.84 -28.79 58.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.938 0.875 . . . . 0.0 111.271 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.803 HD11 HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.59 -52.5 65.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.947 0.88 . . . . 0.0 112.422 175.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.759 ' HG2' HD13 ' A' ' 5' ' ' LEU . 9.6 mtm180 -65.43 -29.06 69.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.729 0.776 . . . . 0.0 111.314 -174.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.53 -36.23 80.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.46 1.124 . . . . 0.0 110.45 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -68.74 -23.47 64.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.703 0.763 . . . . 0.0 111.56 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.803 HD11 HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -75.09 -41.04 59.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.257 1.027 . . . . 0.0 110.994 -175.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.19 2.72 56.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.1 -33.16 44.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.967 0.889 . . . . 0.0 111.105 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -68.43 -33.23 73.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.028 0.918 . . . . 0.0 111.14 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -42.74 88.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.111 0.958 . . . . 0.0 111.041 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.31 -40.96 86.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.243 1.021 . . . . 0.0 110.93 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -23.35 66.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.738 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.89 -43.64 71.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.075 0.94 . . . . 0.0 110.969 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -68.92 -40.45 79.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.176 0.988 . . . . 0.0 110.792 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.61 -35.19 80.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 0.0 111.202 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.44 -45.58 76.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.978 0.894 . . . . 0.0 110.979 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 177.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 122.001 0.905 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -124.97 113.82 18.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.003 0.906 . . . . 0.0 111.037 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.15 36.0 1.51 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.22 1.009 . . . . 0.0 110.877 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.47 -28.61 16.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.591 0.71 . . . . 0.0 111.614 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -59.85 -42.27 93.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 0.0 111.037 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -68.98 -31.8 70.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.846 0.831 . . . . 0.0 111.108 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.593 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 45.5 mt-30 -66.84 -33.24 75.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.944 0.878 . . . . 0.0 111.17 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 mtt-85 -72.71 -28.56 62.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.774 0.797 . . . . 0.0 111.479 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.546 HD11 ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -66.07 -43.36 87.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.3 1.048 . . . . 0.0 110.809 176.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.33 24.3 12.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.128 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 7' ' ' GLN . . . -100.09 -29.93 12.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.179 0.99 . . . . 0.0 110.768 174.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -69.24 -30.43 68.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.809 0.814 . . . . 0.0 111.579 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -44.55 74.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.563 1.173 . . . . 0.0 110.836 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -39.08 91.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.301 1.048 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.88 65.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.912 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -71.26 -45.33 63.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.15 0.976 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -70.97 -36.1 72.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.13 0.967 . . . . 0.0 110.764 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.66 -35.71 73.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.915 0.864 . . . . 0.0 111.256 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.41 56.48 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.932 0.872 . . . . 0.0 111.021 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.356 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.49 ' CE2' ' HB3' ' A' ' 3' ' ' ASP . 82.1 t80 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.136 0.969 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -109.66 93.26 4.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.95 0.881 . . . . 0.0 111.302 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.49 ' HB3' ' CE2' ' A' ' 1' ' ' TYR . 1.9 p-10 -98.65 39.87 1.23 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.897 0.856 . . . . 0.0 111.395 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -99.49 -23.91 14.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.682 0.753 . . . . 0.0 111.649 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -38.23 76.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.904 0.859 . . . . 0.0 111.092 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.544 ' HA ' HD11 ' A' ' 9' ' ' LEU . 12.1 mtm180 -72.13 -22.18 61.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.601 0.715 . . . . 0.0 111.858 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.502 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 6.3 mt-30 -69.66 -38.29 77.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.172 0.987 . . . . 0.0 110.8 174.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -70.84 -28.99 65.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.705 0.765 . . . . 0.0 111.455 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -65.15 -40.74 94.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.247 1.022 . . . . 0.0 110.795 178.162 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.4 23.74 12.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.057 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 7' ' ' GLN . . . -108.34 -28.68 9.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.106 0.955 . . . . 0.0 110.918 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt85 -70.21 -34.57 73.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.973 0.892 . . . . 0.0 111.269 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -40.52 94.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.149 0.976 . . . . 0.0 110.981 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -40.48 72.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.097 0.951 . . . . 0.0 111.022 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -21.8 62.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.426 0.631 . . . . 0.0 111.965 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -74.25 -40.8 62.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.99 0.9 . . . . 0.0 111.027 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -71.07 -42.93 68.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.179 0.99 . . . . 0.0 110.797 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.896 0.855 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -105.16 36.27 2.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.98 0.895 . . . . 0.0 111.086 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.404 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.097 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 CA--C 1.509 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -137.03 121.6 18.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.052 0.929 . . . . 0.0 110.989 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.31 29.75 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 124.574 2.131 . . . . 0.0 110.453 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.82 -18.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.584 -1.323 . . . . 0.0 112.206 -174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -33.58 67.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.535 0.683 . . . . 0.0 111.595 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -72.33 -30.87 65.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.891 0.853 . . . . 0.0 110.995 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -69.08 -32.8 72.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.396 1.093 . . . . 0.0 110.477 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -70.94 -29.24 65.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.943 0.878 . . . . 0.0 111.091 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.38 79.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.377 1.084 . . . . 0.0 110.885 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -29.96 55.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.559 0.695 . . . . 0.0 111.494 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -35.83 62.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.909 0.861 . . . . 0.0 111.114 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 tpt85 -70.15 -43.67 70.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.278 1.037 . . . . 0.0 110.849 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 13' ' ' LEU . 3.1 tp -56.12 -37.28 69.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.022 0.915 . . . . 0.0 111.306 176.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -69.23 -40.18 78.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.369 1.08 . . . . 0.0 110.897 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . . . -66.72 -21.94 66.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.45 -30.13 66.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -43.58 87.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.275 1.036 . . . . 0.0 110.476 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 7.7 pt-20 -88.46 -6.54 57.58 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.666 -175.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.06 44.45 2.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.957 0.885 . . . . 0.0 111.1 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.419 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -175.323 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.719 0.771 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.0 -42.38 72.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.911 0.863 . . . . 0.0 110.983 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -69.72 -28.9 66.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.828 0.823 . . . . 0.0 111.287 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -67.27 -29.22 68.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.829 0.823 . . . . 0.0 111.318 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -74.98 -30.69 61.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.776 0.798 . . . . 0.0 111.464 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.92 -43.29 83.67 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.115 0.96 . . . . 0.0 110.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.2 -34.94 56.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.966 0.888 . . . . 0.0 111.244 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.96 83.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.895 0.855 . . . . 0.0 111.038 -174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -66.37 -33.91 76.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.037 0.922 . . . . 0.0 111.103 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -37.58 86.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.129 0.966 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.62 -41.46 83.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.342 1.068 . . . . 0.0 110.895 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.25 -19.82 63.93 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.07 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.723 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -72.75 -34.71 67.2 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.904 0.859 . . . . 0.0 111.231 177.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -42.37 56.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.497 1.141 . . . . 0.0 110.867 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.13 -34.96 79.25 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.972 0.892 . . . . 0.0 110.986 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -111.57 34.93 3.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.042 0.925 . . . . 0.0 110.97 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.367 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 CA--C 1.511 -0.543 0 CA-C-O 121.938 0.875 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.59 -52.5 65.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.947 0.88 . . . . 0.0 112.422 175.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.675 ' HG2' ' CD1' ' A' ' 5' ' ' LEU . 9.6 mtm180 -65.43 -29.06 69.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.729 0.776 . . . . 0.0 111.314 -174.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.53 -36.23 80.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.46 1.124 . . . . 0.0 110.45 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -68.74 -23.47 64.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.703 0.763 . . . . 0.0 111.56 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -75.09 -41.04 59.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.257 1.027 . . . . 0.0 110.994 -175.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.19 2.72 56.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.1 -33.16 44.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.967 0.889 . . . . 0.0 111.105 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -68.43 -33.23 73.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.028 0.918 . . . . 0.0 111.14 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -42.74 88.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.111 0.958 . . . . 0.0 111.041 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.31 -40.96 86.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.243 1.021 . . . . 0.0 110.93 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -23.35 66.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.738 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.89 -43.64 71.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.075 0.94 . . . . 0.0 110.969 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -68.92 -40.45 79.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.176 0.988 . . . . 0.0 110.792 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.61 -35.19 80.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 0.0 111.202 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.44 -45.58 76.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.978 0.894 . . . . 0.0 110.979 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 177.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.591 0.71 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -59.85 -42.27 93.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 0.0 111.037 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -68.98 -31.8 70.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.846 0.831 . . . . 0.0 111.108 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 45.5 mt-30 -66.84 -33.24 75.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.944 0.878 . . . . 0.0 111.17 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 mtt-85 -72.71 -28.56 62.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.774 0.797 . . . . 0.0 111.479 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -66.07 -43.36 87.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.3 1.048 . . . . 0.0 110.809 176.8 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.33 24.3 12.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.128 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 7' ' ' GLN . . . -100.09 -29.93 12.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.179 0.99 . . . . 0.0 110.768 174.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -69.24 -30.43 68.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.809 0.814 . . . . 0.0 111.579 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -44.55 74.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.563 1.173 . . . . 0.0 110.836 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -39.08 91.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.301 1.048 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.88 65.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.912 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -71.26 -45.33 63.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.15 0.976 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -70.97 -36.1 72.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.13 0.967 . . . . 0.0 110.764 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.66 -35.71 73.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.915 0.864 . . . . 0.0 111.256 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.41 56.48 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.932 0.872 . . . . 0.0 111.021 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.356 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.682 0.753 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -38.23 76.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.904 0.859 . . . . 0.0 111.092 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -72.13 -22.18 61.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.601 0.715 . . . . 0.0 111.858 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 6.3 mt-30 -69.66 -38.29 77.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.172 0.987 . . . . 0.0 110.8 174.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -70.84 -28.99 65.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.705 0.765 . . . . 0.0 111.455 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -40.74 94.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.247 1.022 . . . . 0.0 110.795 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.4 23.74 12.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.057 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 7' ' ' GLN . . . -108.34 -28.68 9.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.106 0.955 . . . . 0.0 110.918 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt85 -70.21 -34.57 73.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.973 0.892 . . . . 0.0 111.269 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -40.52 94.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.149 0.976 . . . . 0.0 110.981 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -40.48 72.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.097 0.951 . . . . 0.0 111.022 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -21.8 62.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.426 0.631 . . . . 0.0 111.965 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -74.25 -40.8 62.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.99 0.9 . . . . 0.0 111.027 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -71.07 -42.93 68.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.179 0.99 . . . . 0.0 110.797 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.896 0.855 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -105.16 36.27 2.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.98 0.895 . . . . 0.0 111.086 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.404 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.097 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 121.319 0.58 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -33.58 67.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.535 0.683 . . . . 0.0 111.595 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -72.33 -30.87 65.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.891 0.853 . . . . 0.0 110.995 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -69.08 -32.8 72.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.396 1.093 . . . . 0.0 110.477 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -70.94 -29.24 65.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.943 0.878 . . . . 0.0 111.091 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.38 79.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.377 1.084 . . . . 0.0 110.885 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -29.96 55.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.559 0.695 . . . . 0.0 111.494 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -35.83 62.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.909 0.861 . . . . 0.0 111.114 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 tpt85 -70.15 -43.67 70.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.278 1.037 . . . . 0.0 110.849 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.12 -37.28 69.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.022 0.915 . . . . 0.0 111.306 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -69.23 -40.18 78.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.369 1.08 . . . . 0.0 110.897 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . . . -66.72 -21.94 66.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.45 -30.13 66.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -43.58 87.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.275 1.036 . . . . 0.0 110.476 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 7.7 pt-20 -88.46 -6.54 57.58 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.666 -175.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.06 44.45 2.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.957 0.885 . . . . 0.0 111.1 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.419 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -175.323 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 122.062 0.934 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -109.75 103.63 12.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.971 0.891 . . . . 0.0 111.064 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.28 39.65 1.15 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.161 0.981 . . . . 0.0 111.377 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -98.9 -28.56 13.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.719 0.771 . . . . 0.0 111.614 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.0 -42.38 72.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.911 0.863 . . . . 0.0 110.983 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -69.72 -28.9 66.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.828 0.823 . . . . 0.0 111.287 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -67.27 -29.22 68.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.829 0.823 . . . . 0.0 111.318 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -74.98 -30.69 61.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.776 0.798 . . . . 0.0 111.464 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.92 -43.29 83.67 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.115 0.96 . . . . 0.0 110.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.2 -34.94 56.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.966 0.888 . . . . 0.0 111.244 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.96 83.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.895 0.855 . . . . 0.0 111.038 -174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -66.37 -33.91 76.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.037 0.922 . . . . 0.0 111.103 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -37.58 86.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.129 0.966 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.62 -41.46 83.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.342 1.068 . . . . 0.0 110.895 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.25 -19.82 63.93 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.07 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.723 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -72.75 -34.71 67.2 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.904 0.859 . . . . 0.0 111.231 177.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -42.37 56.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.497 1.141 . . . . 0.0 110.867 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.13 -34.96 79.25 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.972 0.892 . . . . 0.0 110.986 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -111.57 34.93 3.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.042 0.925 . . . . 0.0 110.97 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.367 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.643 ' HE2' ' HB3' ' A' ' 3' ' ' ASP . 10.8 p90 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.905 0.859 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.98 101.13 9.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.048 0.928 . . . . 0.0 110.959 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.643 ' HB3' ' HE2' ' A' ' 1' ' ' TYR . 1.2 p-10 -95.36 38.83 1.13 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.889 0.852 . . . . 0.0 111.397 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.84 -28.79 58.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.938 0.875 . . . . 0.0 111.271 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.59 -52.5 65.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.947 0.88 . . . . 0.0 112.422 175.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.675 ' HG2' ' CD1' ' A' ' 5' ' ' LEU . 9.6 mtm180 -65.43 -29.06 69.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.729 0.776 . . . . 0.0 111.314 -174.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.53 -36.23 80.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.46 1.124 . . . . 0.0 110.45 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -68.74 -23.47 64.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.703 0.763 . . . . 0.0 111.56 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -75.09 -41.04 59.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.257 1.027 . . . . 0.0 110.994 -175.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.19 2.72 56.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.1 -33.16 44.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.967 0.889 . . . . 0.0 111.105 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -68.43 -33.23 73.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.028 0.918 . . . . 0.0 111.14 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -42.74 88.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.111 0.958 . . . . 0.0 111.041 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.31 -40.96 86.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.243 1.021 . . . . 0.0 110.93 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -23.35 66.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.738 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.89 -43.64 71.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.075 0.94 . . . . 0.0 110.969 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -68.92 -40.45 79.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.176 0.988 . . . . 0.0 110.792 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.61 -35.19 80.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 0.0 111.202 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.44 -45.58 76.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.978 0.894 . . . . 0.0 110.979 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 177.89 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 122.001 0.905 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -124.97 113.82 18.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.003 0.906 . . . . 0.0 111.037 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.15 36.0 1.51 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.22 1.009 . . . . 0.0 110.877 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.47 -28.61 16.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.591 0.71 . . . . 0.0 111.614 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -59.85 -42.27 93.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 0.0 111.037 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -68.98 -31.8 70.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.846 0.831 . . . . 0.0 111.108 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 45.5 mt-30 -66.84 -33.24 75.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.944 0.878 . . . . 0.0 111.17 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 mtt-85 -72.71 -28.56 62.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.774 0.797 . . . . 0.0 111.479 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -66.07 -43.36 87.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.3 1.048 . . . . 0.0 110.809 176.8 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.33 24.3 12.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.128 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 7' ' ' GLN . . . -100.09 -29.93 12.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.179 0.99 . . . . 0.0 110.768 174.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -69.24 -30.43 68.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.809 0.814 . . . . 0.0 111.579 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -44.55 74.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.563 1.173 . . . . 0.0 110.836 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -39.08 91.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.301 1.048 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.88 65.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.912 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -71.26 -45.33 63.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.15 0.976 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -70.97 -36.1 72.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.13 0.967 . . . . 0.0 110.764 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.66 -35.71 73.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.915 0.864 . . . . 0.0 111.256 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.41 56.48 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.932 0.872 . . . . 0.0 111.021 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.356 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 3' ' ' ASP . 82.1 t80 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.136 0.969 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -109.66 93.26 4.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.95 0.881 . . . . 0.0 111.302 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' HB3' ' CE2' ' A' ' 1' ' ' TYR . 1.9 p-10 -98.65 39.87 1.23 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.897 0.856 . . . . 0.0 111.395 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -99.49 -23.91 14.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.682 0.753 . . . . 0.0 111.649 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -38.23 76.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.904 0.859 . . . . 0.0 111.092 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -72.13 -22.18 61.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.601 0.715 . . . . 0.0 111.858 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 6.3 mt-30 -69.66 -38.29 77.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.172 0.987 . . . . 0.0 110.8 174.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -70.84 -28.99 65.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.705 0.765 . . . . 0.0 111.455 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -40.74 94.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.247 1.022 . . . . 0.0 110.795 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.4 23.74 12.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.057 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 7' ' ' GLN . . . -108.34 -28.68 9.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.106 0.955 . . . . 0.0 110.918 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt85 -70.21 -34.57 73.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.973 0.892 . . . . 0.0 111.269 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -40.52 94.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.149 0.976 . . . . 0.0 110.981 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -40.48 72.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.097 0.951 . . . . 0.0 111.022 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -21.8 62.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.426 0.631 . . . . 0.0 111.965 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -74.25 -40.8 62.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.99 0.9 . . . . 0.0 111.027 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -71.07 -42.93 68.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.179 0.99 . . . . 0.0 110.797 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.896 0.855 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -105.16 36.27 2.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.98 0.895 . . . . 0.0 111.086 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.404 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.097 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 CA--C 1.509 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -137.03 121.6 18.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.052 0.929 . . . . 0.0 110.989 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.31 29.75 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 124.574 2.131 . . . . 0.0 110.453 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.82 -18.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.584 -1.323 . . . . 0.0 112.206 -174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -33.58 67.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.535 0.683 . . . . 0.0 111.595 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -72.33 -30.87 65.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.891 0.853 . . . . 0.0 110.995 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -69.08 -32.8 72.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.396 1.093 . . . . 0.0 110.477 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -70.94 -29.24 65.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.943 0.878 . . . . 0.0 111.091 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.38 79.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.377 1.084 . . . . 0.0 110.885 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -29.96 55.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.559 0.695 . . . . 0.0 111.494 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -35.83 62.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.909 0.861 . . . . 0.0 111.114 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 tpt85 -70.15 -43.67 70.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.278 1.037 . . . . 0.0 110.849 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.12 -37.28 69.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.022 0.915 . . . . 0.0 111.306 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -69.23 -40.18 78.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.369 1.08 . . . . 0.0 110.897 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . . . -66.72 -21.94 66.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.45 -30.13 66.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -43.58 87.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.275 1.036 . . . . 0.0 110.476 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 7.7 pt-20 -88.46 -6.54 57.58 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.666 -175.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.06 44.45 2.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.957 0.885 . . . . 0.0 111.1 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.419 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -175.323 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.719 0.771 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.0 -42.38 72.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.911 0.863 . . . . 0.0 110.983 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -69.72 -28.9 66.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.828 0.823 . . . . 0.0 111.287 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -67.27 -29.22 68.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.829 0.823 . . . . 0.0 111.318 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -74.98 -30.69 61.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.776 0.798 . . . . 0.0 111.464 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.92 -43.29 83.67 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.115 0.96 . . . . 0.0 110.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.2 -34.94 56.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.966 0.888 . . . . 0.0 111.244 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.96 83.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.895 0.855 . . . . 0.0 111.038 -174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -66.37 -33.91 76.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.037 0.922 . . . . 0.0 111.103 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -37.58 86.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.129 0.966 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.62 -41.46 83.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.342 1.068 . . . . 0.0 110.895 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.25 -19.82 63.93 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.07 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.723 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -72.75 -34.71 67.2 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.904 0.859 . . . . 0.0 111.231 177.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -42.37 56.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.497 1.141 . . . . 0.0 110.867 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.13 -34.96 79.25 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.972 0.892 . . . . 0.0 110.986 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -111.57 34.93 3.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.042 0.925 . . . . 0.0 110.97 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.367 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 CA--C 1.511 -0.543 0 CA-C-O 121.938 0.875 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.59 -52.5 65.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.947 0.88 . . . . 0.0 112.422 175.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.675 ' HG2' ' CD1' ' A' ' 5' ' ' LEU . 9.6 mtm180 -65.43 -29.06 69.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.729 0.776 . . . . 0.0 111.314 -174.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.53 -36.23 80.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.46 1.124 . . . . 0.0 110.45 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -68.74 -23.47 64.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.703 0.763 . . . . 0.0 111.56 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -75.09 -41.04 59.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.257 1.027 . . . . 0.0 110.994 -175.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.19 2.72 56.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.1 -33.16 44.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.967 0.889 . . . . 0.0 111.105 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -68.43 -33.23 73.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.028 0.918 . . . . 0.0 111.14 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -42.74 88.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.111 0.958 . . . . 0.0 111.041 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.31 -40.96 86.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.243 1.021 . . . . 0.0 110.93 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -23.35 66.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.738 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.89 -43.64 71.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.075 0.94 . . . . 0.0 110.969 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -68.92 -40.45 79.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.176 0.988 . . . . 0.0 110.792 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.61 -35.19 80.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 0.0 111.202 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.44 -45.58 76.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.978 0.894 . . . . 0.0 110.979 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 177.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.591 0.71 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -59.85 -42.27 93.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 0.0 111.037 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -68.98 -31.8 70.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.846 0.831 . . . . 0.0 111.108 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 45.5 mt-30 -66.84 -33.24 75.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.944 0.878 . . . . 0.0 111.17 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 mtt-85 -72.71 -28.56 62.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.774 0.797 . . . . 0.0 111.479 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -66.07 -43.36 87.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.3 1.048 . . . . 0.0 110.809 176.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.33 24.3 12.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.128 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 7' ' ' GLN . . . -100.09 -29.93 12.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.179 0.99 . . . . 0.0 110.768 174.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -69.24 -30.43 68.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.809 0.814 . . . . 0.0 111.579 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -44.55 74.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.563 1.173 . . . . 0.0 110.836 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -39.08 91.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.301 1.048 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.88 65.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.912 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -71.26 -45.33 63.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.15 0.976 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -70.97 -36.1 72.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.13 0.967 . . . . 0.0 110.764 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.66 -35.71 73.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.915 0.864 . . . . 0.0 111.256 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.41 56.48 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.932 0.872 . . . . 0.0 111.021 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.356 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.682 0.753 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -38.23 76.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.904 0.859 . . . . 0.0 111.092 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -72.13 -22.18 61.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.601 0.715 . . . . 0.0 111.858 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 6.3 mt-30 -69.66 -38.29 77.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.172 0.987 . . . . 0.0 110.8 174.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -70.84 -28.99 65.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.705 0.765 . . . . 0.0 111.455 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -40.74 94.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.247 1.022 . . . . 0.0 110.795 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.4 23.74 12.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.057 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 7' ' ' GLN . . . -108.34 -28.68 9.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.106 0.955 . . . . 0.0 110.918 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt85 -70.21 -34.57 73.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.973 0.892 . . . . 0.0 111.269 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -40.52 94.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.149 0.976 . . . . 0.0 110.981 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -40.48 72.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.097 0.951 . . . . 0.0 111.022 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -21.8 62.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.426 0.631 . . . . 0.0 111.965 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -74.25 -40.8 62.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.99 0.9 . . . . 0.0 111.027 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -71.07 -42.93 68.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.179 0.99 . . . . 0.0 110.797 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.896 0.855 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -105.16 36.27 2.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.98 0.895 . . . . 0.0 111.086 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.404 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.097 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 121.319 0.58 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -33.58 67.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.535 0.683 . . . . 0.0 111.595 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -72.33 -30.87 65.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.891 0.853 . . . . 0.0 110.995 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -69.08 -32.8 72.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.396 1.093 . . . . 0.0 110.477 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -70.94 -29.24 65.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.943 0.878 . . . . 0.0 111.091 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.38 79.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.377 1.084 . . . . 0.0 110.885 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -29.96 55.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.559 0.695 . . . . 0.0 111.494 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -35.83 62.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.909 0.861 . . . . 0.0 111.114 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 tpt85 -70.15 -43.67 70.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.278 1.037 . . . . 0.0 110.849 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.12 -37.28 69.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.022 0.915 . . . . 0.0 111.306 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -69.23 -40.18 78.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.369 1.08 . . . . 0.0 110.897 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . . . -66.72 -21.94 66.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.45 -30.13 66.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -43.58 87.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.275 1.036 . . . . 0.0 110.476 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 7.7 pt-20 -88.46 -6.54 57.58 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.666 -175.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.06 44.45 2.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.957 0.885 . . . . 0.0 111.1 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.419 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -175.323 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 122.062 0.934 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -109.75 103.63 12.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.971 0.891 . . . . 0.0 111.064 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.28 39.65 1.15 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.161 0.981 . . . . 0.0 111.377 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -98.9 -28.56 13.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.719 0.771 . . . . 0.0 111.614 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.0 -42.38 72.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.911 0.863 . . . . 0.0 110.983 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -69.72 -28.9 66.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.828 0.823 . . . . 0.0 111.287 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -67.27 -29.22 68.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.829 0.823 . . . . 0.0 111.318 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -74.98 -30.69 61.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.776 0.798 . . . . 0.0 111.464 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.92 -43.29 83.67 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.115 0.96 . . . . 0.0 110.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.2 -34.94 56.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.966 0.888 . . . . 0.0 111.244 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.96 83.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.895 0.855 . . . . 0.0 111.038 -174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -66.37 -33.91 76.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.037 0.922 . . . . 0.0 111.103 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -37.58 86.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.129 0.966 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.62 -41.46 83.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.342 1.068 . . . . 0.0 110.895 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.25 -19.82 63.93 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.07 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.723 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -72.75 -34.71 67.2 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.904 0.859 . . . . 0.0 111.231 177.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -42.37 56.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.497 1.141 . . . . 0.0 110.867 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.13 -34.96 79.25 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.972 0.892 . . . . 0.0 110.986 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -111.57 34.93 3.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.042 0.925 . . . . 0.0 110.97 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.367 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.643 ' HE2' ' HB3' ' A' ' 3' ' ' ASP . 10.8 p90 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.905 0.859 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.98 101.13 9.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.048 0.928 . . . . 0.0 110.959 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.643 ' HB3' ' HE2' ' A' ' 1' ' ' TYR . 1.2 p-10 -95.36 38.83 1.13 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.889 0.852 . . . . 0.0 111.397 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.84 -28.79 58.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.938 0.875 . . . . 0.0 111.271 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.59 -52.5 65.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.947 0.88 . . . . 0.0 112.422 175.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.675 ' HG2' ' CD1' ' A' ' 5' ' ' LEU . 9.6 mtm180 -65.43 -29.06 69.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.729 0.776 . . . . 0.0 111.314 -174.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.53 -36.23 80.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.46 1.124 . . . . 0.0 110.45 174.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -68.74 -23.47 64.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.703 0.763 . . . . 0.0 111.56 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -75.09 -41.04 59.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.257 1.027 . . . . 0.0 110.994 -175.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.19 2.72 56.54 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.1 -33.16 44.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.967 0.889 . . . . 0.0 111.105 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -68.43 -33.23 73.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.028 0.918 . . . . 0.0 111.14 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -42.74 88.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.111 0.958 . . . . 0.0 111.041 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.31 -40.96 86.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.243 1.021 . . . . 0.0 110.93 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -23.35 66.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.738 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.89 -43.64 71.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.075 0.94 . . . . 0.0 110.969 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -68.92 -40.45 79.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.176 0.988 . . . . 0.0 110.792 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.61 -35.19 80.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 0.0 111.202 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.44 -45.58 76.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.978 0.894 . . . . 0.0 110.979 -174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 177.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 122.001 0.905 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -124.97 113.82 18.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.003 0.906 . . . . 0.0 111.037 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.15 36.0 1.51 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.22 1.009 . . . . 0.0 110.877 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.47 -28.61 16.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.591 0.71 . . . . 0.0 111.614 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -59.85 -42.27 93.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 0.0 111.037 -175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -68.98 -31.8 70.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.846 0.831 . . . . 0.0 111.108 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 45.5 mt-30 -66.84 -33.24 75.16 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.944 0.878 . . . . 0.0 111.17 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 mtt-85 -72.71 -28.56 62.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.774 0.797 . . . . 0.0 111.479 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -66.07 -43.36 87.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.3 1.048 . . . . 0.0 110.809 176.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.33 24.3 12.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.128 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 7' ' ' GLN . . . -100.09 -29.93 12.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.179 0.99 . . . . 0.0 110.768 174.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -69.24 -30.43 68.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.809 0.814 . . . . 0.0 111.579 174.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -44.55 74.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.563 1.173 . . . . 0.0 110.836 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -39.08 91.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.301 1.048 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 -21.88 65.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.912 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -71.26 -45.33 63.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.15 0.976 . . . . 0.0 110.899 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -70.97 -36.1 72.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.13 0.967 . . . . 0.0 110.764 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.66 -35.71 73.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.915 0.864 . . . . 0.0 111.256 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.41 56.48 1.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.932 0.872 . . . . 0.0 111.021 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.356 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 3' ' ' ASP . 82.1 t80 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.136 0.969 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -109.66 93.26 4.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.95 0.881 . . . . 0.0 111.302 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' HB3' ' CE2' ' A' ' 1' ' ' TYR . 1.9 p-10 -98.65 39.87 1.23 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.897 0.856 . . . . 0.0 111.395 174.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -99.49 -23.91 14.95 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.682 0.753 . . . . 0.0 111.649 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -38.23 76.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.904 0.859 . . . . 0.0 111.092 175.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -72.13 -22.18 61.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.601 0.715 . . . . 0.0 111.858 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 6.3 mt-30 -69.66 -38.29 77.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.172 0.987 . . . . 0.0 110.8 174.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -70.84 -28.99 65.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.705 0.765 . . . . 0.0 111.455 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -40.74 94.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.247 1.022 . . . . 0.0 110.795 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.4 23.74 12.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.057 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 7' ' ' GLN . . . -108.34 -28.68 9.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.106 0.955 . . . . 0.0 110.918 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt85 -70.21 -34.57 73.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.973 0.892 . . . . 0.0 111.269 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -40.52 94.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.149 0.976 . . . . 0.0 110.981 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -40.48 72.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.097 0.951 . . . . 0.0 111.022 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -21.8 62.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.426 0.631 . . . . 0.0 111.965 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -74.25 -40.8 62.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.99 0.9 . . . . 0.0 111.027 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -71.07 -42.93 68.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.179 0.99 . . . . 0.0 110.797 -177.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.896 0.855 . . . . 0.0 111.19 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -105.16 36.27 2.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.98 0.895 . . . . 0.0 111.086 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.404 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.097 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 CA--C 1.509 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -137.03 121.6 18.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.052 0.929 . . . . 0.0 110.989 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.31 29.75 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 124.574 2.131 . . . . 0.0 110.453 174.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -94.82 -18.09 21.52 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.584 -1.323 . . . . 0.0 112.206 -174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.43 -33.58 67.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.535 0.683 . . . . 0.0 111.595 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -72.33 -30.87 65.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.891 0.853 . . . . 0.0 110.995 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -69.08 -32.8 72.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.396 1.093 . . . . 0.0 110.477 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -70.94 -29.24 65.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.943 0.878 . . . . 0.0 111.091 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.38 79.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.377 1.084 . . . . 0.0 110.885 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -29.96 55.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.559 0.695 . . . . 0.0 111.494 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -35.83 62.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.909 0.861 . . . . 0.0 111.114 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 tpt85 -70.15 -43.67 70.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.278 1.037 . . . . 0.0 110.849 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.12 -37.28 69.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.022 0.915 . . . . 0.0 111.306 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -69.23 -40.18 78.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.369 1.08 . . . . 0.0 110.897 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . . . -66.72 -21.94 66.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.516 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.45 -30.13 66.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -43.58 87.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.275 1.036 . . . . 0.0 110.476 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 7.7 pt-20 -88.46 -6.54 57.58 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.666 -175.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.06 44.45 2.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.957 0.885 . . . . 0.0 111.1 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.419 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -175.323 . . . . . . . . 0 0 . 1 stop_ save_