data_2ifz_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 2ifz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 p -84.39 140.91 31.24 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -79.81 63.25 4.3 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 18.8 t70 -159.32 156.09 28.0 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.932 1.293 . . . . 0.0 110.057 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -61.73 -59.32 5.35 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -85.29 -33.72 22.07 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 28.9 p -56.5 -49.79 73.68 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 171.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.05 89.9 1.78 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.684 1.129 . . . . 0.0 111.225 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 58.7 p-90 50.34 -92.24 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -155.78 77.85 0.97 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 145.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 CA--C 1.563 1.473 0 CA-C-O 123.564 1.649 . . . . 0.0 114.567 -159.082 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -97.66 136.09 38.54 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.529 0.731 . . . . 0.0 112.872 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 p -77.88 48.7 0.72 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.66 148.35 29.98 Favored 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.827 -1.17 . . . . 0.0 109.959 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -55.72 -56.73 16.98 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -168.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -75.8 -42.03 51.16 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 p -63.43 -44.05 95.69 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 76.61 0.55 Allowed 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 119.396 0.998 . . . . 0.0 111.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.476 52.4 p-90 55.23 -83.68 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -175.72 79.59 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 159.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 CA--C 1.565 1.545 0 CA-C-O 123.852 1.786 . . . . 0.0 113.66 -162.546 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.913 0.863 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.3 139.0 31.95 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 121.067 -1.02 . . . . 0.0 112.058 166.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -77.6 72.32 4.13 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.503 1.144 . . . . 0.0 113.142 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.403 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -164.3 152.52 12.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.019 0.928 . . . . 0.0 110.768 -164.271 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.2 -56.25 10.68 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 -77.02 -46.67 23.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 13.2 p -66.3 -38.83 88.65 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.76 85.4 1.11 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 120.592 1.542 . . . . 0.0 112.053 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.448 38.1 p-90 49.59 -98.02 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -151.0 72.06 1.05 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 150.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.488 1.461 0 O-C-N 119.878 -1.764 . . . . 0.0 115.123 -159.619 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.564 1.492 0 CA-C-O 122.068 0.937 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.67 138.88 38.99 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 121.168 -0.957 . . . . 0.0 112.742 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -77.47 70.32 3.84 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.592 1.187 . . . . 0.0 112.72 165.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.472 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 1.7 t70 -169.17 144.74 3.25 Favored 'General case' 0 CA--C 1.572 1.79 0 C-N-CA 124.613 1.165 . . . . 0.0 108.724 -172.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -60.4 -60.46 3.78 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 118.035 2.606 . . . . 0.0 118.035 -168.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -78.6 -36.09 44.8 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -172.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 21.3 p -58.42 -46.81 85.72 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.28 93.8 1.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.863 1.21 . . . . 0.0 110.979 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.444 54.7 p-90 43.21 -96.44 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -151.67 72.68 1.04 Allowed 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 145.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 123.401 1.572 . . . . 0.0 114.298 -164.643 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.941 0.877 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -79.47 136.16 36.85 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 121.044 -1.035 . . . . 0.0 113.31 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.6 p -79.71 63.16 4.19 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.777 1.275 . . . . 0.0 113.981 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -160.43 169.05 23.85 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-O 122.781 1.277 . . . . 0.0 111.152 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.32 -62.29 1.53 Allowed 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 117.579 2.437 . . . . 0.0 117.579 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -86.2 -32.84 20.99 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -55.09 -53.33 57.29 Favored 'General case' 0 CA--C 1.573 1.83 0 N-CA-C 116.844 2.165 . . . . 0.0 116.844 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 81.31 1.36 Allowed 'General case' 0 CA--C 1.56 1.339 0 O-C-N 121.262 -0.899 . . . . 0.0 111.889 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.466 47.2 p-90 52.44 -92.94 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -154.6 73.37 0.9 Allowed 'General case' 0 CA--C 1.57 1.716 0 O-C-N 121.272 -0.893 . . . . 0.0 108.974 150.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t . . . . . 0 CA--C 1.565 1.528 0 CA-C-O 124.199 1.952 . . . . 0.0 115.416 -159.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.8 t . . . . . 0 CA--C 1.566 1.564 0 CA-C-O 122.048 0.927 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 18.2 p -90.09 129.36 36.39 Favored 'General case' 0 CA--C 1.567 1.597 0 O-C-N 121.425 -0.797 . . . . 0.0 112.501 172.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -79.36 69.44 5.6 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 120.627 -1.295 . . . . 0.0 113.845 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -160.1 151.84 20.06 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 120.903 -1.123 . . . . 0.0 111.262 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -52.09 -56.51 13.98 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 118.675 2.842 . . . . 0.0 118.675 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -80.52 -42.93 21.59 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -61.47 -48.56 80.55 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.68 82.92 1.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.369 0.986 . . . . 0.0 110.519 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.475 52.2 p-90 50.18 -94.44 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -175.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -156.62 73.74 0.79 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 155.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 123.786 1.755 . . . . 0.0 115.114 -162.062 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 CA--C 1.568 1.639 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.18 149.48 30.87 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.067 0.947 . . . . 0.0 111.23 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 p -82.45 42.65 0.77 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -148.96 164.41 34.64 Favored 'General case' 0 CA--C 1.576 1.979 0 C-N-CA 124.739 1.215 . . . . 0.0 111.272 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.64 -51.17 53.11 Favored 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -74.03 -49.2 25.3 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -173.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 p -53.2 -59.09 5.0 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.9 91.18 2.5 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 123.938 0.895 . . . . 0.0 110.537 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.46 63.4 p-90 55.15 -88.96 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 172.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -164.78 72.61 0.21 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 155.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 CA--C 1.566 1.558 0 CA-C-O 123.637 1.684 . . . . 0.0 115.328 -155.016 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.564 1.502 0 CA-C-O 120.856 0.36 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.38 147.86 50.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 112.811 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -77.32 47.65 0.58 Allowed 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 174.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.83 150.48 19.04 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.75 -1.219 . . . . 0.0 111.249 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.02 -44.53 97.27 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -86.46 -46.16 10.46 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 120.269 -1.519 . . . . 0.0 114.445 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 p -53.41 -40.97 65.53 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.41 95.19 1.55 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.322 0.964 . . . . 0.0 110.442 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.436 43.3 p-90 43.88 -91.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 178.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -158.1 84.74 0.87 Allowed 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 142.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.566 1.577 0 CA-C-O 123.954 1.835 . . . . 0.0 115.207 -164.544 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 CA--C 1.564 1.502 0 CA-C-O 122.209 1.004 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -144.51 137.77 27.11 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.026 0.93 . . . . 0.0 110.949 173.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -79.36 63.77 4.07 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 120.618 -1.302 . . . . 0.0 114.368 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -163.46 148.46 11.08 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 124.558 1.143 . . . . 0.0 110.243 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -70.52 -24.83 62.9 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 119.806 3.262 . . . . 0.0 119.806 -168.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -103.87 -39.11 6.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.9 -57.78 11.0 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.79 90.86 1.95 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 119.015 0.825 . . . . 0.0 111.042 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.483 43.5 p-90 53.83 -101.22 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -157.02 82.09 0.93 Allowed 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 153.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.566 1.579 0 CA-C-O 123.847 1.784 . . . . 0.0 113.725 -164.259 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -86.08 136.08 33.37 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 112.758 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.9 p -79.34 53.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.12 161.77 41.74 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 125.176 1.391 . . . . 0.0 110.193 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -68.1 -66.29 0.59 Allowed 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -74.44 -32.09 62.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -56.74 -48.2 78.3 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.78 93.06 1.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.421 1.01 . . . . 0.0 111.249 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 67.3 p-90 48.52 -91.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -178.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -159.4 68.36 0.42 Allowed 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 159.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 123.811 1.767 . . . . 0.0 115.106 -157.06 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.569 1.708 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.03 140.41 32.72 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.848 -1.157 . . . . 0.0 114.084 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -75.24 69.27 2.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 171.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.88 153.91 12.73 Favored 'General case' 0 CA--C 1.566 1.586 0 O-C-N 120.714 -1.241 . . . . 0.0 112.842 -169.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -66.73 -55.34 15.49 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -78.88 -47.68 16.08 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -173.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -56.04 -52.18 65.14 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.44 88.59 1.44 Allowed 'General case' 0 CA--C 1.562 1.409 0 O-C-N 121.236 -0.915 . . . . 0.0 111.201 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.452 40.7 p-90 53.16 -97.92 0.07 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 171.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -155.35 76.33 0.96 Allowed 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 158.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 124.086 1.898 . . . . 0.0 114.01 -165.368 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.564 1.51 0 CA-C-O 122.202 1.001 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -87.37 130.47 34.63 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 111.264 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -79.94 75.82 6.65 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 123.604 1.668 . . . . 0.0 113.495 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.414 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 16.8 t70 -162.39 140.41 8.62 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.489 -164.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.53 -46.56 89.45 Favored 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -75.44 -43.96 46.84 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.453 2.39 . . . . 0.0 117.453 -171.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 14.9 p -68.78 -65.57 0.69 Allowed 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.88 92.16 3.09 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.454 1.025 . . . . 0.0 112.168 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.455 35.2 p-90 50.49 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 173.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -153.77 80.93 1.15 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 145.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 123.704 1.716 . . . . 0.0 114.053 -167.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.566 1.596 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.99 133.9 35.67 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.163 -0.961 . . . . 0.0 112.788 172.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -78.9 71.03 5.33 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 123.001 1.381 . . . . 0.0 114.204 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.513 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 8.8 t70 -164.83 133.07 3.31 Favored 'General case' 0 CA--C 1.571 1.767 0 C-N-CA 124.47 1.108 . . . . 0.0 108.611 -166.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -56.86 -43.12 80.87 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -71.22 -56.94 5.03 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 26.3 p -62.47 -50.61 70.76 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 117.693 2.479 . . . . 0.0 117.693 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.83 89.94 1.94 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.608 1.549 . . . . 0.0 111.982 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.505 66.1 p-90 54.09 -95.67 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -153.03 72.71 0.96 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 144.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 t . . . . . 0 CA--C 1.568 1.66 0 CA-C-O 124.175 1.94 . . . . 0.0 115.096 -161.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 121.417 0.627 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -96.44 136.3 37.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.972 -1.08 . . . . 0.0 111.537 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.3 p -82.3 62.47 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.49 150.4 10.52 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.295 1.038 . . . . 0.0 111.061 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -56.59 -65.44 0.61 Allowed 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 118.158 2.651 . . . . 0.0 118.158 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -78.44 -9.43 59.29 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.31 -65.77 0.91 Allowed 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.65 95.19 2.19 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.005 0.922 . . . . 0.0 110.139 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.507 29.5 p-90 48.03 -106.73 0.17 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -169.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -162.87 84.15 0.52 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 165.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.569 1.682 0 CA-C-O 123.526 1.631 . . . . 0.0 113.999 -162.091 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.6 p -90.54 147.7 23.19 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 123.588 0.755 . . . . 0.0 111.911 162.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -81.19 61.6 4.79 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.415 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 35.7 t70 -164.08 151.35 12.02 Favored 'General case' 0 CA--C 1.575 1.922 0 O-C-N 120.975 -1.078 . . . . 0.0 111.589 -166.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -53.55 -69.42 0.12 Allowed 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 117.989 2.588 . . . . 0.0 117.989 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -86.01 -12.49 50.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 12.6 p -76.47 -51.07 12.47 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 168.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.75 92.84 2.2 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 119.399 1.0 . . . . 0.0 110.791 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.442 32.3 p-90 45.17 -93.86 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 176.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -153.61 76.95 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 148.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 123.684 1.707 . . . . 0.0 114.399 -161.905 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.052 0 N-CA-C 114.265 0.466 . . . . 0.0 114.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.69 82.91 1.67 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 p -84.39 140.91 31.24 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -79.81 63.25 4.3 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 18.8 t70 -159.32 156.09 28.0 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.932 1.293 . . . . 0.0 110.057 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -61.73 -59.32 5.35 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -85.29 -33.72 22.07 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 28.9 p -56.5 -49.79 73.68 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 171.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.05 89.9 1.78 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.684 1.129 . . . . 0.0 111.225 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 58.7 p-90 50.34 -92.24 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -155.78 77.85 0.97 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 145.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.66 113.56 25.05 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 123.564 1.649 . . . . 0.0 114.567 -159.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 O-C-N 117.148 -3.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.9 t -103.66 83.1 2.1 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 123.313 0.645 . . . . 0.0 110.33 167.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -97.66 136.09 38.54 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.529 0.731 . . . . 0.0 112.872 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 p -77.88 48.7 0.72 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.66 148.35 29.98 Favored 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.827 -1.17 . . . . 0.0 109.959 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -55.72 -56.73 16.98 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -168.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -75.8 -42.03 51.16 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 p -63.43 -44.05 95.69 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 76.61 0.55 Allowed 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 119.396 0.998 . . . . 0.0 111.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.476 52.4 p-90 55.23 -83.68 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -175.72 79.59 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 159.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -101.25 119.87 39.4 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 123.852 1.786 . . . . 0.0 113.66 -162.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.931 0 O-C-N 117.297 -3.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.81 70.66 1.43 Allowed 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 121.913 0.863 . . . . 0.0 112.853 164.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.3 139.0 31.95 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 121.067 -1.02 . . . . 0.0 112.058 166.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -77.6 72.32 4.13 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.503 1.144 . . . . 0.0 113.142 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.403 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -164.3 152.52 12.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.019 0.928 . . . . 0.0 110.768 -164.271 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.2 -56.25 10.68 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 -77.02 -46.67 23.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 13.2 p -66.3 -38.83 88.65 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.76 85.4 1.11 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 120.592 1.542 . . . . 0.0 112.053 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.448 38.1 p-90 49.59 -98.02 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -151.0 72.06 1.05 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 150.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.6 t -78.35 112.01 14.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.878 -1.764 . . . . 0.0 115.123 -159.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.864 0 O-C-N 117.267 -3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 119.8 -0.444 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.1 t -123.69 86.37 2.56 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 122.068 0.937 . . . . 0.0 110.447 163.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.67 138.88 38.99 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 121.168 -0.957 . . . . 0.0 112.742 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -77.47 70.32 3.84 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.592 1.187 . . . . 0.0 112.72 165.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.472 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 1.7 t70 -169.17 144.74 3.25 Favored 'General case' 0 CA--C 1.572 1.79 0 C-N-CA 124.613 1.165 . . . . 0.0 108.724 -172.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -60.4 -60.46 3.78 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 118.035 2.606 . . . . 0.0 118.035 -168.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -78.6 -36.09 44.8 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -172.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 21.3 p -58.42 -46.81 85.72 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.28 93.8 1.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.863 1.21 . . . . 0.0 110.979 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.444 54.7 p-90 43.21 -96.44 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -151.67 72.68 1.04 Allowed 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 145.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 t -74.07 126.25 30.11 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 123.401 1.572 . . . . 0.0 114.298 -164.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.941 0 O-C-N 117.21 -3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 113.8 0.28 . . . . 0.0 113.8 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.85 75.61 4.86 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.337 1.068 . . . . 0.0 112.557 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -79.47 136.16 36.85 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 121.044 -1.035 . . . . 0.0 113.31 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.6 p -79.71 63.16 4.19 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.777 1.275 . . . . 0.0 113.981 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -160.43 169.05 23.85 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-O 122.781 1.277 . . . . 0.0 111.152 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.32 -62.29 1.53 Allowed 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 117.579 2.437 . . . . 0.0 117.579 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -86.2 -32.84 20.99 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -55.09 -53.33 57.29 Favored 'General case' 0 CA--C 1.573 1.83 0 N-CA-C 116.844 2.165 . . . . 0.0 116.844 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 81.31 1.36 Allowed 'General case' 0 CA--C 1.56 1.339 0 O-C-N 121.262 -0.899 . . . . 0.0 111.889 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.466 47.2 p-90 52.44 -92.94 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -154.6 73.37 0.9 Allowed 'General case' 0 CA--C 1.57 1.716 0 O-C-N 121.272 -0.893 . . . . 0.0 108.974 150.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -82.77 96.18 8.11 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 124.199 1.952 . . . . 0.0 115.416 -159.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.808 0 O-C-N 117.507 -3.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.931 0 N-CA-C 113.477 0.151 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.13 85.91 7.02 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-O 122.048 0.927 . . . . 0.0 112.773 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 18.2 p -90.09 129.36 36.39 Favored 'General case' 0 CA--C 1.567 1.597 0 O-C-N 121.425 -0.797 . . . . 0.0 112.501 172.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -79.36 69.44 5.6 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 120.627 -1.295 . . . . 0.0 113.845 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -160.1 151.84 20.06 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 120.903 -1.123 . . . . 0.0 111.262 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -52.09 -56.51 13.98 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 118.675 2.842 . . . . 0.0 118.675 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -80.52 -42.93 21.59 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -61.47 -48.56 80.55 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.68 82.92 1.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.369 0.986 . . . . 0.0 110.519 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.475 52.2 p-90 50.18 -94.44 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -175.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -156.62 73.74 0.79 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 155.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.6 t -89.2 88.62 7.6 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 123.786 1.755 . . . . 0.0 115.114 -162.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.917 0 O-C-N 117.028 -3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 N-CA-C 118.229 2.052 . . . . 0.0 118.229 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 t -65.8 108.36 2.1 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.18 149.48 30.87 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.067 0.947 . . . . 0.0 111.23 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 p -82.45 42.65 0.77 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -148.96 164.41 34.64 Favored 'General case' 0 CA--C 1.576 1.979 0 C-N-CA 124.739 1.215 . . . . 0.0 111.272 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.64 -51.17 53.11 Favored 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -74.03 -49.2 25.3 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -173.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 p -53.2 -59.09 5.0 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.9 91.18 2.5 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 123.938 0.895 . . . . 0.0 110.537 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.46 63.4 p-90 55.15 -88.96 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 172.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -164.78 72.61 0.21 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 155.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 t -90.12 151.68 21.49 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 123.637 1.684 . . . . 0.0 115.328 -155.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.827 0 O-C-N 116.863 -3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 115.891 1.117 . . . . 0.0 115.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.4 t -118.29 119.99 36.31 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.696 0.798 . . . . 0.0 111.392 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.38 147.86 50.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 112.811 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -77.32 47.65 0.58 Allowed 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 174.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.83 150.48 19.04 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.75 -1.219 . . . . 0.0 111.249 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.02 -44.53 97.27 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -86.46 -46.16 10.46 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 120.269 -1.519 . . . . 0.0 114.445 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 p -53.41 -40.97 65.53 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.41 95.19 1.55 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.322 0.964 . . . . 0.0 110.442 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.436 43.3 p-90 43.88 -91.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 178.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -158.1 84.74 0.87 Allowed 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 142.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -83.6 150.83 25.67 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 123.954 1.835 . . . . 0.0 115.207 -164.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 116.707 -3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 114.671 0.628 . . . . 0.0 114.671 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.63 130.87 53.46 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.209 1.004 . . . . 0.0 111.084 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -144.51 137.77 27.11 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.026 0.93 . . . . 0.0 110.949 173.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -79.36 63.77 4.07 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 120.618 -1.302 . . . . 0.0 114.368 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -163.46 148.46 11.08 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 124.558 1.143 . . . . 0.0 110.243 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -70.52 -24.83 62.9 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 119.806 3.262 . . . . 0.0 119.806 -168.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -103.87 -39.11 6.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.9 -57.78 11.0 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.79 90.86 1.95 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 119.015 0.825 . . . . 0.0 111.042 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.483 43.5 p-90 53.83 -101.22 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -157.02 82.09 0.93 Allowed 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 153.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -91.99 98.23 11.44 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 123.847 1.784 . . . . 0.0 113.725 -164.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.887 0 O-C-N 116.809 -3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.015 0 N-CA-C 114.488 0.555 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.75 85.14 5.96 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -86.08 136.08 33.37 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 112.758 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.9 p -79.34 53.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.12 161.77 41.74 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 125.176 1.391 . . . . 0.0 110.193 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -68.1 -66.29 0.59 Allowed 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -74.44 -32.09 62.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -56.74 -48.2 78.3 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.78 93.06 1.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.421 1.01 . . . . 0.0 111.249 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 67.3 p-90 48.52 -91.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -178.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -159.4 68.36 0.42 Allowed 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 159.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -96.66 76.18 2.82 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 123.811 1.767 . . . . 0.0 115.106 -157.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 116.348 -3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.009 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -79.15 77.07 5.66 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.03 140.41 32.72 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.848 -1.157 . . . . 0.0 114.084 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -75.24 69.27 2.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 171.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.88 153.91 12.73 Favored 'General case' 0 CA--C 1.566 1.586 0 O-C-N 120.714 -1.241 . . . . 0.0 112.842 -169.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -66.73 -55.34 15.49 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -78.88 -47.68 16.08 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -173.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -56.04 -52.18 65.14 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.44 88.59 1.44 Allowed 'General case' 0 CA--C 1.562 1.409 0 O-C-N 121.236 -0.915 . . . . 0.0 111.201 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.452 40.7 p-90 53.16 -97.92 0.07 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 171.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -155.35 76.33 0.96 Allowed 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 158.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.29 73.7 1.7 Allowed 'General case' 0 CA--C 1.568 1.658 0 CA-C-O 124.086 1.898 . . . . 0.0 114.01 -165.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.769 0 O-C-N 117.042 -3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 CA-C-O 119.849 -0.417 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -98.67 78.19 2.34 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 122.202 1.001 . . . . 0.0 111.875 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -87.37 130.47 34.63 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 111.264 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -79.94 75.82 6.65 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 123.604 1.668 . . . . 0.0 113.495 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 16.8 t70 -162.39 140.41 8.62 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.489 -164.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.53 -46.56 89.45 Favored 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -75.44 -43.96 46.84 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.453 2.39 . . . . 0.0 117.453 -171.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 14.9 p -68.78 -65.57 0.69 Allowed 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.88 92.16 3.09 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.454 1.025 . . . . 0.0 112.168 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.455 35.2 p-90 50.49 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 173.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -153.77 80.93 1.15 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 145.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -85.25 82.83 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 123.704 1.716 . . . . 0.0 114.053 -167.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 117.194 -3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.068 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.99 88.74 4.33 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.99 133.9 35.67 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.163 -0.961 . . . . 0.0 112.788 172.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -78.9 71.03 5.33 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 123.001 1.381 . . . . 0.0 114.204 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 8.8 t70 -164.83 133.07 3.31 Favored 'General case' 0 CA--C 1.571 1.767 0 C-N-CA 124.47 1.108 . . . . 0.0 108.611 -166.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -56.86 -43.12 80.87 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -71.22 -56.94 5.03 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 26.3 p -62.47 -50.61 70.76 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 117.693 2.479 . . . . 0.0 117.693 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.83 89.94 1.94 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.608 1.549 . . . . 0.0 111.982 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.505 66.1 p-90 54.09 -95.67 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -153.03 72.71 0.96 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 144.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 t -88.86 75.42 8.1 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 124.175 1.94 . . . . 0.0 115.096 -161.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.829 0 O-C-N 116.724 -3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 114.714 0.646 . . . . 0.0 114.714 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -110.57 85.51 2.12 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 123.358 0.663 . . . . 0.0 111.162 170.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -96.44 136.3 37.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.972 -1.08 . . . . 0.0 111.537 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.3 p -82.3 62.47 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.49 150.4 10.52 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.295 1.038 . . . . 0.0 111.061 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -56.59 -65.44 0.61 Allowed 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 118.158 2.651 . . . . 0.0 118.158 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -78.44 -9.43 59.29 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.31 -65.77 0.91 Allowed 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.65 95.19 2.19 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.005 0.922 . . . . 0.0 110.139 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.507 29.5 p-90 48.03 -106.73 0.17 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -169.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -162.87 84.15 0.52 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 165.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.09 81.8 1.52 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 123.526 1.631 . . . . 0.0 113.999 -162.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 116.674 -3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.126 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.9 t -139.12 87.21 2.19 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 123.567 0.747 . . . . 0.0 110.483 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.6 p -90.54 147.7 23.19 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 123.588 0.755 . . . . 0.0 111.911 162.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -81.19 61.6 4.79 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.415 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 35.7 t70 -164.08 151.35 12.02 Favored 'General case' 0 CA--C 1.575 1.922 0 O-C-N 120.975 -1.078 . . . . 0.0 111.589 -166.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -53.55 -69.42 0.12 Allowed 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 117.989 2.588 . . . . 0.0 117.989 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -86.01 -12.49 50.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 12.6 p -76.47 -51.07 12.47 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 168.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.75 92.84 2.2 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 119.399 1.0 . . . . 0.0 110.791 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.442 32.3 p-90 45.17 -93.86 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 176.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -153.61 76.95 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 148.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -91.7 89.05 6.94 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 123.684 1.707 . . . . 0.0 114.399 -161.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.976 0 O-C-N 116.715 -3.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 20.2 p -84.39 140.91 31.24 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 172.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -79.81 63.25 4.3 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.452 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 18.8 t70 -159.32 156.09 28.0 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.932 1.293 . . . . 0.0 110.057 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -61.73 -59.32 5.35 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -85.29 -33.72 22.07 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 28.9 p -56.5 -49.79 73.68 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 171.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -148.05 89.9 1.78 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.684 1.129 . . . . 0.0 111.225 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 58.7 p-90 50.34 -92.24 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -155.78 77.85 0.97 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 145.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 CA--C 1.563 1.473 0 CA-C-O 123.564 1.649 . . . . 0.0 114.567 -159.082 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -97.66 136.09 38.54 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.529 0.731 . . . . 0.0 112.872 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 p -77.88 48.7 0.72 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.66 148.35 29.98 Favored 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.827 -1.17 . . . . 0.0 109.959 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -55.72 -56.73 16.98 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -168.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -75.8 -42.03 51.16 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 p -63.43 -44.05 95.69 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 76.61 0.55 Allowed 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 119.396 0.998 . . . . 0.0 111.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.476 52.4 p-90 55.23 -83.68 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -175.72 79.59 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 159.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 CA--C 1.565 1.545 0 CA-C-O 123.852 1.786 . . . . 0.0 113.66 -162.546 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.913 0.863 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.3 139.0 31.95 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 121.067 -1.02 . . . . 0.0 112.058 166.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -77.6 72.32 4.13 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.503 1.144 . . . . 0.0 113.142 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.3 152.52 12.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.019 0.928 . . . . 0.0 110.768 -164.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.2 -56.25 10.68 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 -77.02 -46.67 23.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.3 -38.83 88.65 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.76 85.4 1.11 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 120.592 1.542 . . . . 0.0 112.053 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.448 38.1 p-90 49.59 -98.02 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -151.0 72.06 1.05 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 150.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.488 1.461 0 O-C-N 119.878 -1.764 . . . . 0.0 115.123 -159.619 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.564 1.492 0 CA-C-O 122.068 0.937 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.67 138.88 38.99 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 121.168 -0.957 . . . . 0.0 112.742 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -77.47 70.32 3.84 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.592 1.187 . . . . 0.0 112.72 165.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 1.7 t70 -169.17 144.74 3.25 Favored 'General case' 0 CA--C 1.572 1.79 0 C-N-CA 124.613 1.165 . . . . 0.0 108.724 -172.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -60.4 -60.46 3.78 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 118.035 2.606 . . . . 0.0 118.035 -168.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -78.6 -36.09 44.8 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -172.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 21.3 p -58.42 -46.81 85.72 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.28 93.8 1.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.863 1.21 . . . . 0.0 110.979 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.444 54.7 p-90 43.21 -96.44 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -151.67 72.68 1.04 Allowed 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 145.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 123.401 1.572 . . . . 0.0 114.298 -164.643 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.941 0.877 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -79.47 136.16 36.85 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 121.044 -1.035 . . . . 0.0 113.31 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.6 p -79.71 63.16 4.19 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.777 1.275 . . . . 0.0 113.981 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -160.43 169.05 23.85 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-O 122.781 1.277 . . . . 0.0 111.152 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.32 -62.29 1.53 Allowed 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 117.579 2.437 . . . . 0.0 117.579 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -86.2 -32.84 20.99 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -55.09 -53.33 57.29 Favored 'General case' 0 CA--C 1.573 1.83 0 N-CA-C 116.844 2.165 . . . . 0.0 116.844 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 81.31 1.36 Allowed 'General case' 0 CA--C 1.56 1.339 0 O-C-N 121.262 -0.899 . . . . 0.0 111.889 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.466 47.2 p-90 52.44 -92.94 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -154.6 73.37 0.9 Allowed 'General case' 0 CA--C 1.57 1.716 0 O-C-N 121.272 -0.893 . . . . 0.0 108.974 150.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t . . . . . 0 CA--C 1.565 1.528 0 CA-C-O 124.199 1.952 . . . . 0.0 115.416 -159.891 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.8 t . . . . . 0 CA--C 1.566 1.564 0 CA-C-O 122.048 0.927 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 18.2 p -90.09 129.36 36.39 Favored 'General case' 0 CA--C 1.567 1.597 0 O-C-N 121.425 -0.797 . . . . 0.0 112.501 172.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -79.36 69.44 5.6 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 120.627 -1.295 . . . . 0.0 113.845 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -160.1 151.84 20.06 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 120.903 -1.123 . . . . 0.0 111.262 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -52.09 -56.51 13.98 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 118.675 2.842 . . . . 0.0 118.675 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -80.52 -42.93 21.59 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -61.47 -48.56 80.55 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -154.68 82.92 1.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.369 0.986 . . . . 0.0 110.519 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.475 52.2 p-90 50.18 -94.44 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -175.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -156.62 73.74 0.79 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 155.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 123.786 1.755 . . . . 0.0 115.114 -162.062 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 CA--C 1.568 1.639 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.18 149.48 30.87 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.067 0.947 . . . . 0.0 111.23 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 p -82.45 42.65 0.77 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -148.96 164.41 34.64 Favored 'General case' 0 CA--C 1.576 1.979 0 C-N-CA 124.739 1.215 . . . . 0.0 111.272 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.64 -51.17 53.11 Favored 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -74.03 -49.2 25.3 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -173.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 p -53.2 -59.09 5.0 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.9 91.18 2.5 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 123.938 0.895 . . . . 0.0 110.537 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.46 63.4 p-90 55.15 -88.96 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 172.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -164.78 72.61 0.21 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 155.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 CA--C 1.566 1.558 0 CA-C-O 123.637 1.684 . . . . 0.0 115.328 -155.016 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.564 1.502 0 CA-C-O 120.856 0.36 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.38 147.86 50.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 112.811 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -77.32 47.65 0.58 Allowed 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 174.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.83 150.48 19.04 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.75 -1.219 . . . . 0.0 111.249 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.02 -44.53 97.27 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -86.46 -46.16 10.46 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 120.269 -1.519 . . . . 0.0 114.445 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 p -53.41 -40.97 65.53 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.41 95.19 1.55 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.322 0.964 . . . . 0.0 110.442 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.436 43.3 p-90 43.88 -91.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 178.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -158.1 84.74 0.87 Allowed 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 142.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.566 1.577 0 CA-C-O 123.954 1.835 . . . . 0.0 115.207 -164.544 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 CA--C 1.564 1.502 0 CA-C-O 122.209 1.004 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -144.51 137.77 27.11 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.026 0.93 . . . . 0.0 110.949 173.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -79.36 63.77 4.07 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 120.618 -1.302 . . . . 0.0 114.368 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -163.46 148.46 11.08 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 124.558 1.143 . . . . 0.0 110.243 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -70.52 -24.83 62.9 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 119.806 3.262 . . . . 0.0 119.806 -168.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -103.87 -39.11 6.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.9 -57.78 11.0 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.79 90.86 1.95 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 119.015 0.825 . . . . 0.0 111.042 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.483 43.5 p-90 53.83 -101.22 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -157.02 82.09 0.93 Allowed 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 153.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.566 1.579 0 CA-C-O 123.847 1.784 . . . . 0.0 113.725 -164.259 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -86.08 136.08 33.37 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 112.758 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.9 p -79.34 53.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.12 161.77 41.74 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 125.176 1.391 . . . . 0.0 110.193 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -68.1 -66.29 0.59 Allowed 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -74.44 -32.09 62.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -56.74 -48.2 78.3 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.78 93.06 1.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.421 1.01 . . . . 0.0 111.249 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 67.3 p-90 48.52 -91.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -178.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -159.4 68.36 0.42 Allowed 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 159.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 123.811 1.767 . . . . 0.0 115.106 -157.06 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.569 1.708 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.03 140.41 32.72 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.848 -1.157 . . . . 0.0 114.084 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -75.24 69.27 2.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 171.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.88 153.91 12.73 Favored 'General case' 0 CA--C 1.566 1.586 0 O-C-N 120.714 -1.241 . . . . 0.0 112.842 -169.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -66.73 -55.34 15.49 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -78.88 -47.68 16.08 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -173.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -56.04 -52.18 65.14 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.44 88.59 1.44 Allowed 'General case' 0 CA--C 1.562 1.409 0 O-C-N 121.236 -0.915 . . . . 0.0 111.201 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.452 40.7 p-90 53.16 -97.92 0.07 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 171.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -155.35 76.33 0.96 Allowed 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 158.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 124.086 1.898 . . . . 0.0 114.01 -165.368 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.564 1.51 0 CA-C-O 122.202 1.001 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -87.37 130.47 34.63 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 111.264 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -79.94 75.82 6.65 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 123.604 1.668 . . . . 0.0 113.495 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.407 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 16.8 t70 -162.39 140.41 8.62 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.489 -164.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.53 -46.56 89.45 Favored 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -75.44 -43.96 46.84 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.453 2.39 . . . . 0.0 117.453 -171.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 14.9 p -68.78 -65.57 0.69 Allowed 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.88 92.16 3.09 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.454 1.025 . . . . 0.0 112.168 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.455 35.2 p-90 50.49 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 173.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -153.77 80.93 1.15 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 145.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 123.704 1.716 . . . . 0.0 114.053 -167.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.566 1.596 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.99 133.9 35.67 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.163 -0.961 . . . . 0.0 112.788 172.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -78.9 71.03 5.33 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 123.001 1.381 . . . . 0.0 114.204 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.51 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 8.8 t70 -164.83 133.07 3.31 Favored 'General case' 0 CA--C 1.571 1.767 0 C-N-CA 124.47 1.108 . . . . 0.0 108.611 -166.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -56.86 -43.12 80.87 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -71.22 -56.94 5.03 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 26.3 p -62.47 -50.61 70.76 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 117.693 2.479 . . . . 0.0 117.693 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.83 89.94 1.94 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.608 1.549 . . . . 0.0 111.982 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.505 66.1 p-90 54.09 -95.67 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -153.03 72.71 0.96 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 144.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 t . . . . . 0 CA--C 1.568 1.66 0 CA-C-O 124.175 1.94 . . . . 0.0 115.096 -161.895 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 121.417 0.627 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -96.44 136.3 37.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.972 -1.08 . . . . 0.0 111.537 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.3 p -82.3 62.47 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.49 150.4 10.52 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.295 1.038 . . . . 0.0 111.061 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -56.59 -65.44 0.61 Allowed 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 118.158 2.651 . . . . 0.0 118.158 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -78.44 -9.43 59.29 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.31 -65.77 0.91 Allowed 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.65 95.19 2.19 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.005 0.922 . . . . 0.0 110.139 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.507 29.5 p-90 48.03 -106.73 0.17 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -169.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -162.87 84.15 0.52 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 165.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.569 1.682 0 CA-C-O 123.526 1.631 . . . . 0.0 113.999 -162.091 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.6 p -90.54 147.7 23.19 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 123.588 0.755 . . . . 0.0 111.911 162.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -81.19 61.6 4.79 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.42 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 35.7 t70 -164.08 151.35 12.02 Favored 'General case' 0 CA--C 1.575 1.922 0 O-C-N 120.975 -1.078 . . . . 0.0 111.589 -166.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -53.55 -69.42 0.12 Allowed 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 117.989 2.588 . . . . 0.0 117.989 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -86.01 -12.49 50.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 12.6 p -76.47 -51.07 12.47 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 168.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.75 92.84 2.2 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 119.399 1.0 . . . . 0.0 110.791 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.442 32.3 p-90 45.17 -93.86 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 176.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -153.61 76.95 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 148.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 123.684 1.707 . . . . 0.0 114.399 -161.905 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.052 0 N-CA-C 114.265 0.466 . . . . 0.0 114.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.69 82.91 1.67 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 20.2 p -84.39 140.91 31.24 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 172.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -79.81 63.25 4.3 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.452 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 18.8 t70 -159.32 156.09 28.0 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.932 1.293 . . . . 0.0 110.057 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -61.73 -59.32 5.35 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -85.29 -33.72 22.07 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 28.9 p -56.5 -49.79 73.68 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 171.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -148.05 89.9 1.78 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.684 1.129 . . . . 0.0 111.225 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 58.7 p-90 50.34 -92.24 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -155.78 77.85 0.97 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 145.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.66 113.56 25.05 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 123.564 1.649 . . . . 0.0 114.567 -159.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 O-C-N 117.148 -3.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.9 t -103.66 83.1 2.1 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 123.313 0.645 . . . . 0.0 110.33 167.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -97.66 136.09 38.54 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.529 0.731 . . . . 0.0 112.872 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 p -77.88 48.7 0.72 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.66 148.35 29.98 Favored 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.827 -1.17 . . . . 0.0 109.959 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -55.72 -56.73 16.98 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -168.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -75.8 -42.03 51.16 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 p -63.43 -44.05 95.69 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 76.61 0.55 Allowed 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 119.396 0.998 . . . . 0.0 111.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.476 52.4 p-90 55.23 -83.68 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -175.72 79.59 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 159.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -101.25 119.87 39.4 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 123.852 1.786 . . . . 0.0 113.66 -162.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.931 0 O-C-N 117.297 -3.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.81 70.66 1.43 Allowed 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 121.913 0.863 . . . . 0.0 112.853 164.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.3 139.0 31.95 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 121.067 -1.02 . . . . 0.0 112.058 166.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -77.6 72.32 4.13 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.503 1.144 . . . . 0.0 113.142 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.3 152.52 12.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.019 0.928 . . . . 0.0 110.768 -164.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.2 -56.25 10.68 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 -77.02 -46.67 23.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.3 -38.83 88.65 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.76 85.4 1.11 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 120.592 1.542 . . . . 0.0 112.053 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.448 38.1 p-90 49.59 -98.02 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -151.0 72.06 1.05 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 150.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.6 t -78.35 112.01 14.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.878 -1.764 . . . . 0.0 115.123 -159.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.864 0 O-C-N 117.267 -3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 119.8 -0.444 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.1 t -123.69 86.37 2.56 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 122.068 0.937 . . . . 0.0 110.447 163.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.67 138.88 38.99 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 121.168 -0.957 . . . . 0.0 112.742 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -77.47 70.32 3.84 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.592 1.187 . . . . 0.0 112.72 165.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 1.7 t70 -169.17 144.74 3.25 Favored 'General case' 0 CA--C 1.572 1.79 0 C-N-CA 124.613 1.165 . . . . 0.0 108.724 -172.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -60.4 -60.46 3.78 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 118.035 2.606 . . . . 0.0 118.035 -168.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -78.6 -36.09 44.8 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -172.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 21.3 p -58.42 -46.81 85.72 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.28 93.8 1.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.863 1.21 . . . . 0.0 110.979 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.444 54.7 p-90 43.21 -96.44 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -151.67 72.68 1.04 Allowed 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 145.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 t -74.07 126.25 30.11 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 123.401 1.572 . . . . 0.0 114.298 -164.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.941 0 O-C-N 117.21 -3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 113.8 0.28 . . . . 0.0 113.8 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.85 75.61 4.86 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.337 1.068 . . . . 0.0 112.557 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -79.47 136.16 36.85 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 121.044 -1.035 . . . . 0.0 113.31 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.6 p -79.71 63.16 4.19 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.777 1.275 . . . . 0.0 113.981 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -160.43 169.05 23.85 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-O 122.781 1.277 . . . . 0.0 111.152 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.32 -62.29 1.53 Allowed 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 117.579 2.437 . . . . 0.0 117.579 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -86.2 -32.84 20.99 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -55.09 -53.33 57.29 Favored 'General case' 0 CA--C 1.573 1.83 0 N-CA-C 116.844 2.165 . . . . 0.0 116.844 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 81.31 1.36 Allowed 'General case' 0 CA--C 1.56 1.339 0 O-C-N 121.262 -0.899 . . . . 0.0 111.889 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.466 47.2 p-90 52.44 -92.94 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -154.6 73.37 0.9 Allowed 'General case' 0 CA--C 1.57 1.716 0 O-C-N 121.272 -0.893 . . . . 0.0 108.974 150.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -82.77 96.18 8.11 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 124.199 1.952 . . . . 0.0 115.416 -159.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.808 0 O-C-N 117.507 -3.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.931 0 N-CA-C 113.477 0.151 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.13 85.91 7.02 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-O 122.048 0.927 . . . . 0.0 112.773 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 18.2 p -90.09 129.36 36.39 Favored 'General case' 0 CA--C 1.567 1.597 0 O-C-N 121.425 -0.797 . . . . 0.0 112.501 172.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -79.36 69.44 5.6 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 120.627 -1.295 . . . . 0.0 113.845 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -160.1 151.84 20.06 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 120.903 -1.123 . . . . 0.0 111.262 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -52.09 -56.51 13.98 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 118.675 2.842 . . . . 0.0 118.675 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -80.52 -42.93 21.59 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -61.47 -48.56 80.55 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -154.68 82.92 1.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.369 0.986 . . . . 0.0 110.519 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.475 52.2 p-90 50.18 -94.44 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -175.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -156.62 73.74 0.79 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 155.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.6 t -89.2 88.62 7.6 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 123.786 1.755 . . . . 0.0 115.114 -162.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.917 0 O-C-N 117.028 -3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 N-CA-C 118.229 2.052 . . . . 0.0 118.229 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 t -65.8 108.36 2.1 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.18 149.48 30.87 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.067 0.947 . . . . 0.0 111.23 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 p -82.45 42.65 0.77 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -148.96 164.41 34.64 Favored 'General case' 0 CA--C 1.576 1.979 0 C-N-CA 124.739 1.215 . . . . 0.0 111.272 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.64 -51.17 53.11 Favored 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -74.03 -49.2 25.3 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -173.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 p -53.2 -59.09 5.0 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.9 91.18 2.5 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 123.938 0.895 . . . . 0.0 110.537 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.46 63.4 p-90 55.15 -88.96 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 172.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -164.78 72.61 0.21 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 155.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 t -90.12 151.68 21.49 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 123.637 1.684 . . . . 0.0 115.328 -155.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.827 0 O-C-N 116.863 -3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 115.891 1.117 . . . . 0.0 115.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.4 t -118.29 119.99 36.31 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.696 0.798 . . . . 0.0 111.392 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.38 147.86 50.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 112.811 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -77.32 47.65 0.58 Allowed 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 174.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.83 150.48 19.04 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.75 -1.219 . . . . 0.0 111.249 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.02 -44.53 97.27 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -86.46 -46.16 10.46 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 120.269 -1.519 . . . . 0.0 114.445 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 p -53.41 -40.97 65.53 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.41 95.19 1.55 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.322 0.964 . . . . 0.0 110.442 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.436 43.3 p-90 43.88 -91.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 178.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -158.1 84.74 0.87 Allowed 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 142.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -83.6 150.83 25.67 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 123.954 1.835 . . . . 0.0 115.207 -164.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 116.707 -3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 114.671 0.628 . . . . 0.0 114.671 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.63 130.87 53.46 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.209 1.004 . . . . 0.0 111.084 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -144.51 137.77 27.11 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.026 0.93 . . . . 0.0 110.949 173.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -79.36 63.77 4.07 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 120.618 -1.302 . . . . 0.0 114.368 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -163.46 148.46 11.08 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 124.558 1.143 . . . . 0.0 110.243 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -70.52 -24.83 62.9 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 119.806 3.262 . . . . 0.0 119.806 -168.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -103.87 -39.11 6.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.9 -57.78 11.0 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.79 90.86 1.95 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 119.015 0.825 . . . . 0.0 111.042 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.483 43.5 p-90 53.83 -101.22 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -157.02 82.09 0.93 Allowed 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 153.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -91.99 98.23 11.44 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 123.847 1.784 . . . . 0.0 113.725 -164.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.887 0 O-C-N 116.809 -3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.015 0 N-CA-C 114.488 0.555 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.75 85.14 5.96 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -86.08 136.08 33.37 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 112.758 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.9 p -79.34 53.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.12 161.77 41.74 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 125.176 1.391 . . . . 0.0 110.193 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -68.1 -66.29 0.59 Allowed 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -74.44 -32.09 62.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -56.74 -48.2 78.3 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.78 93.06 1.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.421 1.01 . . . . 0.0 111.249 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 67.3 p-90 48.52 -91.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -178.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -159.4 68.36 0.42 Allowed 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 159.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -96.66 76.18 2.82 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 123.811 1.767 . . . . 0.0 115.106 -157.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 116.348 -3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.009 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -79.15 77.07 5.66 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.03 140.41 32.72 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.848 -1.157 . . . . 0.0 114.084 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -75.24 69.27 2.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 171.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.88 153.91 12.73 Favored 'General case' 0 CA--C 1.566 1.586 0 O-C-N 120.714 -1.241 . . . . 0.0 112.842 -169.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -66.73 -55.34 15.49 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -78.88 -47.68 16.08 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -173.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -56.04 -52.18 65.14 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.44 88.59 1.44 Allowed 'General case' 0 CA--C 1.562 1.409 0 O-C-N 121.236 -0.915 . . . . 0.0 111.201 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.452 40.7 p-90 53.16 -97.92 0.07 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 171.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -155.35 76.33 0.96 Allowed 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 158.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.29 73.7 1.7 Allowed 'General case' 0 CA--C 1.568 1.658 0 CA-C-O 124.086 1.898 . . . . 0.0 114.01 -165.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.769 0 O-C-N 117.042 -3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 CA-C-O 119.849 -0.417 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -98.67 78.19 2.34 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 122.202 1.001 . . . . 0.0 111.875 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -87.37 130.47 34.63 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 111.264 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -79.94 75.82 6.65 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 123.604 1.668 . . . . 0.0 113.495 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 16.8 t70 -162.39 140.41 8.62 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.489 -164.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.53 -46.56 89.45 Favored 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -75.44 -43.96 46.84 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.453 2.39 . . . . 0.0 117.453 -171.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 14.9 p -68.78 -65.57 0.69 Allowed 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.88 92.16 3.09 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.454 1.025 . . . . 0.0 112.168 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.455 35.2 p-90 50.49 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 173.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -153.77 80.93 1.15 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 145.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -85.25 82.83 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 123.704 1.716 . . . . 0.0 114.053 -167.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 117.194 -3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.068 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.99 88.74 4.33 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.99 133.9 35.67 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.163 -0.961 . . . . 0.0 112.788 172.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -78.9 71.03 5.33 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 123.001 1.381 . . . . 0.0 114.204 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.51 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 8.8 t70 -164.83 133.07 3.31 Favored 'General case' 0 CA--C 1.571 1.767 0 C-N-CA 124.47 1.108 . . . . 0.0 108.611 -166.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -56.86 -43.12 80.87 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -71.22 -56.94 5.03 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 26.3 p -62.47 -50.61 70.76 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 117.693 2.479 . . . . 0.0 117.693 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.83 89.94 1.94 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.608 1.549 . . . . 0.0 111.982 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.505 66.1 p-90 54.09 -95.67 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -153.03 72.71 0.96 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 144.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 t -88.86 75.42 8.1 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 124.175 1.94 . . . . 0.0 115.096 -161.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.829 0 O-C-N 116.724 -3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 114.714 0.646 . . . . 0.0 114.714 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -110.57 85.51 2.12 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 123.358 0.663 . . . . 0.0 111.162 170.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -96.44 136.3 37.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.972 -1.08 . . . . 0.0 111.537 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.3 p -82.3 62.47 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.49 150.4 10.52 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.295 1.038 . . . . 0.0 111.061 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -56.59 -65.44 0.61 Allowed 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 118.158 2.651 . . . . 0.0 118.158 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -78.44 -9.43 59.29 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.31 -65.77 0.91 Allowed 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.65 95.19 2.19 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.005 0.922 . . . . 0.0 110.139 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.507 29.5 p-90 48.03 -106.73 0.17 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -169.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -162.87 84.15 0.52 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 165.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.09 81.8 1.52 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 123.526 1.631 . . . . 0.0 113.999 -162.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 116.674 -3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.126 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.9 t -139.12 87.21 2.19 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 123.567 0.747 . . . . 0.0 110.483 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.6 p -90.54 147.7 23.19 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 123.588 0.755 . . . . 0.0 111.911 162.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -81.19 61.6 4.79 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 35.7 t70 -164.08 151.35 12.02 Favored 'General case' 0 CA--C 1.575 1.922 0 O-C-N 120.975 -1.078 . . . . 0.0 111.589 -166.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -53.55 -69.42 0.12 Allowed 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 117.989 2.588 . . . . 0.0 117.989 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -86.01 -12.49 50.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 12.6 p -76.47 -51.07 12.47 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 168.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.75 92.84 2.2 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 119.399 1.0 . . . . 0.0 110.791 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.442 32.3 p-90 45.17 -93.86 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 176.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -153.61 76.95 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 148.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -91.7 89.05 6.94 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 123.684 1.707 . . . . 0.0 114.399 -161.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.976 0 O-C-N 116.715 -3.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 20.2 p -84.39 140.91 31.24 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 172.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -79.81 63.25 4.3 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.452 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 18.8 t70 -159.32 156.09 28.0 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.932 1.293 . . . . 0.0 110.057 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -61.73 -59.32 5.35 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -85.29 -33.72 22.07 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 28.9 p -56.5 -49.79 73.68 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 171.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -148.05 89.9 1.78 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.684 1.129 . . . . 0.0 111.225 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 58.7 p-90 50.34 -92.24 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -155.78 77.85 0.97 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 145.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 CA--C 1.563 1.473 0 CA-C-O 123.564 1.649 . . . . 0.0 114.567 -159.082 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -97.66 136.09 38.54 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.529 0.731 . . . . 0.0 112.872 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 p -77.88 48.7 0.72 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.66 148.35 29.98 Favored 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.827 -1.17 . . . . 0.0 109.959 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -55.72 -56.73 16.98 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -168.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -75.8 -42.03 51.16 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 p -63.43 -44.05 95.69 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 76.61 0.55 Allowed 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 119.396 0.998 . . . . 0.0 111.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.476 52.4 p-90 55.23 -83.68 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -175.72 79.59 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 159.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 CA--C 1.565 1.545 0 CA-C-O 123.852 1.786 . . . . 0.0 113.66 -162.546 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.913 0.863 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.3 139.0 31.95 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 121.067 -1.02 . . . . 0.0 112.058 166.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -77.6 72.32 4.13 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.503 1.144 . . . . 0.0 113.142 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.3 152.52 12.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.019 0.928 . . . . 0.0 110.768 -164.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.2 -56.25 10.68 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 -77.02 -46.67 23.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.3 -38.83 88.65 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.76 85.4 1.11 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 120.592 1.542 . . . . 0.0 112.053 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.448 38.1 p-90 49.59 -98.02 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -151.0 72.06 1.05 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 150.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.488 1.461 0 O-C-N 119.878 -1.764 . . . . 0.0 115.123 -159.619 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.564 1.492 0 CA-C-O 122.068 0.937 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.67 138.88 38.99 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 121.168 -0.957 . . . . 0.0 112.742 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -77.47 70.32 3.84 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.592 1.187 . . . . 0.0 112.72 165.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 1.7 t70 -169.17 144.74 3.25 Favored 'General case' 0 CA--C 1.572 1.79 0 C-N-CA 124.613 1.165 . . . . 0.0 108.724 -172.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -60.4 -60.46 3.78 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 118.035 2.606 . . . . 0.0 118.035 -168.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -78.6 -36.09 44.8 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -172.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 21.3 p -58.42 -46.81 85.72 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.28 93.8 1.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.863 1.21 . . . . 0.0 110.979 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.444 54.7 p-90 43.21 -96.44 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -151.67 72.68 1.04 Allowed 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 145.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 123.401 1.572 . . . . 0.0 114.298 -164.643 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.941 0.877 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -79.47 136.16 36.85 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 121.044 -1.035 . . . . 0.0 113.31 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.6 p -79.71 63.16 4.19 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.777 1.275 . . . . 0.0 113.981 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -160.43 169.05 23.85 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-O 122.781 1.277 . . . . 0.0 111.152 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.32 -62.29 1.53 Allowed 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 117.579 2.437 . . . . 0.0 117.579 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -86.2 -32.84 20.99 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -55.09 -53.33 57.29 Favored 'General case' 0 CA--C 1.573 1.83 0 N-CA-C 116.844 2.165 . . . . 0.0 116.844 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 81.31 1.36 Allowed 'General case' 0 CA--C 1.56 1.339 0 O-C-N 121.262 -0.899 . . . . 0.0 111.889 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.466 47.2 p-90 52.44 -92.94 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -154.6 73.37 0.9 Allowed 'General case' 0 CA--C 1.57 1.716 0 O-C-N 121.272 -0.893 . . . . 0.0 108.974 150.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t . . . . . 0 CA--C 1.565 1.528 0 CA-C-O 124.199 1.952 . . . . 0.0 115.416 -159.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.8 t . . . . . 0 CA--C 1.566 1.564 0 CA-C-O 122.048 0.927 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 18.2 p -90.09 129.36 36.39 Favored 'General case' 0 CA--C 1.567 1.597 0 O-C-N 121.425 -0.797 . . . . 0.0 112.501 172.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -79.36 69.44 5.6 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 120.627 -1.295 . . . . 0.0 113.845 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -160.1 151.84 20.06 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 120.903 -1.123 . . . . 0.0 111.262 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -52.09 -56.51 13.98 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 118.675 2.842 . . . . 0.0 118.675 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -80.52 -42.93 21.59 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -61.47 -48.56 80.55 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -154.68 82.92 1.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.369 0.986 . . . . 0.0 110.519 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.475 52.2 p-90 50.18 -94.44 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -175.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -156.62 73.74 0.79 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 155.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 123.786 1.755 . . . . 0.0 115.114 -162.062 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 CA--C 1.568 1.639 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.18 149.48 30.87 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.067 0.947 . . . . 0.0 111.23 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 p -82.45 42.65 0.77 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -148.96 164.41 34.64 Favored 'General case' 0 CA--C 1.576 1.979 0 C-N-CA 124.739 1.215 . . . . 0.0 111.272 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.64 -51.17 53.11 Favored 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -74.03 -49.2 25.3 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -173.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 p -53.2 -59.09 5.0 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.9 91.18 2.5 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 123.938 0.895 . . . . 0.0 110.537 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.46 63.4 p-90 55.15 -88.96 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 172.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -164.78 72.61 0.21 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 155.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 CA--C 1.566 1.558 0 CA-C-O 123.637 1.684 . . . . 0.0 115.328 -155.016 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.564 1.502 0 CA-C-O 120.856 0.36 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.38 147.86 50.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 112.811 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -77.32 47.65 0.58 Allowed 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 174.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.83 150.48 19.04 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.75 -1.219 . . . . 0.0 111.249 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.02 -44.53 97.27 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -86.46 -46.16 10.46 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 120.269 -1.519 . . . . 0.0 114.445 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 p -53.41 -40.97 65.53 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.41 95.19 1.55 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.322 0.964 . . . . 0.0 110.442 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.436 43.3 p-90 43.88 -91.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 178.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -158.1 84.74 0.87 Allowed 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 142.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.566 1.577 0 CA-C-O 123.954 1.835 . . . . 0.0 115.207 -164.544 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 CA--C 1.564 1.502 0 CA-C-O 122.209 1.004 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -144.51 137.77 27.11 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.026 0.93 . . . . 0.0 110.949 173.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -79.36 63.77 4.07 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 120.618 -1.302 . . . . 0.0 114.368 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -163.46 148.46 11.08 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 124.558 1.143 . . . . 0.0 110.243 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -70.52 -24.83 62.9 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 119.806 3.262 . . . . 0.0 119.806 -168.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -103.87 -39.11 6.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.9 -57.78 11.0 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.79 90.86 1.95 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 119.015 0.825 . . . . 0.0 111.042 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.483 43.5 p-90 53.83 -101.22 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -157.02 82.09 0.93 Allowed 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 153.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.566 1.579 0 CA-C-O 123.847 1.784 . . . . 0.0 113.725 -164.259 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -86.08 136.08 33.37 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 112.758 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.9 p -79.34 53.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.12 161.77 41.74 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 125.176 1.391 . . . . 0.0 110.193 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -68.1 -66.29 0.59 Allowed 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -74.44 -32.09 62.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -56.74 -48.2 78.3 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.78 93.06 1.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.421 1.01 . . . . 0.0 111.249 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 67.3 p-90 48.52 -91.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -178.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -159.4 68.36 0.42 Allowed 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 159.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 123.811 1.767 . . . . 0.0 115.106 -157.06 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 CA--C 1.569 1.708 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.03 140.41 32.72 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.848 -1.157 . . . . 0.0 114.084 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -75.24 69.27 2.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 171.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.88 153.91 12.73 Favored 'General case' 0 CA--C 1.566 1.586 0 O-C-N 120.714 -1.241 . . . . 0.0 112.842 -169.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -66.73 -55.34 15.49 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -78.88 -47.68 16.08 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -173.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -56.04 -52.18 65.14 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.44 88.59 1.44 Allowed 'General case' 0 CA--C 1.562 1.409 0 O-C-N 121.236 -0.915 . . . . 0.0 111.201 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.452 40.7 p-90 53.16 -97.92 0.07 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 171.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -155.35 76.33 0.96 Allowed 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 158.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 124.086 1.898 . . . . 0.0 114.01 -165.368 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.564 1.51 0 CA-C-O 122.202 1.001 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -87.37 130.47 34.63 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 111.264 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -79.94 75.82 6.65 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 123.604 1.668 . . . . 0.0 113.495 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.407 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 16.8 t70 -162.39 140.41 8.62 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.489 -164.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.53 -46.56 89.45 Favored 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -75.44 -43.96 46.84 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.453 2.39 . . . . 0.0 117.453 -171.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 14.9 p -68.78 -65.57 0.69 Allowed 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.88 92.16 3.09 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.454 1.025 . . . . 0.0 112.168 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.455 35.2 p-90 50.49 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 173.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -153.77 80.93 1.15 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 145.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 123.704 1.716 . . . . 0.0 114.053 -167.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.566 1.596 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.99 133.9 35.67 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.163 -0.961 . . . . 0.0 112.788 172.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -78.9 71.03 5.33 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 123.001 1.381 . . . . 0.0 114.204 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.51 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 8.8 t70 -164.83 133.07 3.31 Favored 'General case' 0 CA--C 1.571 1.767 0 C-N-CA 124.47 1.108 . . . . 0.0 108.611 -166.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -56.86 -43.12 80.87 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -71.22 -56.94 5.03 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 26.3 p -62.47 -50.61 70.76 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 117.693 2.479 . . . . 0.0 117.693 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.83 89.94 1.94 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.608 1.549 . . . . 0.0 111.982 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.505 66.1 p-90 54.09 -95.67 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -153.03 72.71 0.96 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 144.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 t . . . . . 0 CA--C 1.568 1.66 0 CA-C-O 124.175 1.94 . . . . 0.0 115.096 -161.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 121.417 0.627 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -96.44 136.3 37.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.972 -1.08 . . . . 0.0 111.537 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.3 p -82.3 62.47 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.49 150.4 10.52 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.295 1.038 . . . . 0.0 111.061 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -56.59 -65.44 0.61 Allowed 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 118.158 2.651 . . . . 0.0 118.158 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -78.44 -9.43 59.29 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.31 -65.77 0.91 Allowed 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.65 95.19 2.19 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.005 0.922 . . . . 0.0 110.139 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.507 29.5 p-90 48.03 -106.73 0.17 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -169.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -162.87 84.15 0.52 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 165.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.569 1.682 0 CA-C-O 123.526 1.631 . . . . 0.0 113.999 -162.091 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.6 p -90.54 147.7 23.19 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 123.588 0.755 . . . . 0.0 111.911 162.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -81.19 61.6 4.79 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.42 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 35.7 t70 -164.08 151.35 12.02 Favored 'General case' 0 CA--C 1.575 1.922 0 O-C-N 120.975 -1.078 . . . . 0.0 111.589 -166.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -53.55 -69.42 0.12 Allowed 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 117.989 2.588 . . . . 0.0 117.989 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -86.01 -12.49 50.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 12.6 p -76.47 -51.07 12.47 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 168.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.75 92.84 2.2 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 119.399 1.0 . . . . 0.0 110.791 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.442 32.3 p-90 45.17 -93.86 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 176.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -153.61 76.95 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 148.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 123.684 1.707 . . . . 0.0 114.399 -161.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.052 0 N-CA-C 114.265 0.466 . . . . 0.0 114.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.69 82.91 1.67 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 20.2 p -84.39 140.91 31.24 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 172.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -79.81 63.25 4.3 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.452 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 18.8 t70 -159.32 156.09 28.0 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.932 1.293 . . . . 0.0 110.057 -175.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -61.73 -59.32 5.35 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -85.29 -33.72 22.07 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -172.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 28.9 p -56.5 -49.79 73.68 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 171.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -148.05 89.9 1.78 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.684 1.129 . . . . 0.0 111.225 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 58.7 p-90 50.34 -92.24 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 ttt-85 -155.78 77.85 0.97 Allowed 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 145.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.66 113.56 25.05 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 123.564 1.649 . . . . 0.0 114.567 -159.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 O-C-N 117.148 -3.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.9 t -103.66 83.1 2.1 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 123.313 0.645 . . . . 0.0 110.33 167.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -97.66 136.09 38.54 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.529 0.731 . . . . 0.0 112.872 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 p -77.88 48.7 0.72 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -148.66 148.35 29.98 Favored 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.827 -1.17 . . . . 0.0 109.959 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -55.72 -56.73 16.98 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -168.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -75.8 -42.03 51.16 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 p -63.43 -44.05 95.69 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 76.61 0.55 Allowed 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 119.396 0.998 . . . . 0.0 111.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.476 52.4 p-90 55.23 -83.68 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.4 ttt-85 -175.72 79.59 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 159.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -101.25 119.87 39.4 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 123.852 1.786 . . . . 0.0 113.66 -162.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.931 0 O-C-N 117.297 -3.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.81 70.66 1.43 Allowed 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 121.913 0.863 . . . . 0.0 112.853 164.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.3 139.0 31.95 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 121.067 -1.02 . . . . 0.0 112.058 166.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -77.6 72.32 4.13 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.503 1.144 . . . . 0.0 113.142 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.3 152.52 12.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.019 0.928 . . . . 0.0 110.768 -164.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.2 -56.25 10.68 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 -77.02 -46.67 23.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.3 -38.83 88.65 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.76 85.4 1.11 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 120.592 1.542 . . . . 0.0 112.053 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.448 38.1 p-90 49.59 -98.02 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -151.0 72.06 1.05 Allowed 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 150.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.6 t -78.35 112.01 14.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.878 -1.764 . . . . 0.0 115.123 -159.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.864 0 O-C-N 117.267 -3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 119.8 -0.444 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.1 t -123.69 86.37 2.56 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 122.068 0.937 . . . . 0.0 110.447 163.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.67 138.88 38.99 Favored 'General case' 0 CA--C 1.557 1.245 0 O-C-N 121.168 -0.957 . . . . 0.0 112.742 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -77.47 70.32 3.84 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.592 1.187 . . . . 0.0 112.72 165.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 1.7 t70 -169.17 144.74 3.25 Favored 'General case' 0 CA--C 1.572 1.79 0 C-N-CA 124.613 1.165 . . . . 0.0 108.724 -172.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -60.4 -60.46 3.78 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 118.035 2.606 . . . . 0.0 118.035 -168.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -78.6 -36.09 44.8 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -172.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 21.3 p -58.42 -46.81 85.72 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.28 93.8 1.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.863 1.21 . . . . 0.0 110.979 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.444 54.7 p-90 43.21 -96.44 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -151.67 72.68 1.04 Allowed 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 145.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 t -74.07 126.25 30.11 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 123.401 1.572 . . . . 0.0 114.298 -164.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.941 0 O-C-N 117.21 -3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 113.8 0.28 . . . . 0.0 113.8 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.85 75.61 4.86 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.337 1.068 . . . . 0.0 112.557 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -79.47 136.16 36.85 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 121.044 -1.035 . . . . 0.0 113.31 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.6 p -79.71 63.16 4.19 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.777 1.275 . . . . 0.0 113.981 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -160.43 169.05 23.85 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-O 122.781 1.277 . . . . 0.0 111.152 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.32 -62.29 1.53 Allowed 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 117.579 2.437 . . . . 0.0 117.579 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -86.2 -32.84 20.99 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -55.09 -53.33 57.29 Favored 'General case' 0 CA--C 1.573 1.83 0 N-CA-C 116.844 2.165 . . . . 0.0 116.844 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 81.31 1.36 Allowed 'General case' 0 CA--C 1.56 1.339 0 O-C-N 121.262 -0.899 . . . . 0.0 111.889 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.466 47.2 p-90 52.44 -92.94 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -154.6 73.37 0.9 Allowed 'General case' 0 CA--C 1.57 1.716 0 O-C-N 121.272 -0.893 . . . . 0.0 108.974 150.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -82.77 96.18 8.11 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 124.199 1.952 . . . . 0.0 115.416 -159.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.808 0 O-C-N 117.507 -3.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.931 0 N-CA-C 113.477 0.151 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.13 85.91 7.02 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-O 122.048 0.927 . . . . 0.0 112.773 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 18.2 p -90.09 129.36 36.39 Favored 'General case' 0 CA--C 1.567 1.597 0 O-C-N 121.425 -0.797 . . . . 0.0 112.501 172.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -79.36 69.44 5.6 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 120.627 -1.295 . . . . 0.0 113.845 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -160.1 151.84 20.06 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 120.903 -1.123 . . . . 0.0 111.262 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -52.09 -56.51 13.98 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 118.675 2.842 . . . . 0.0 118.675 -173.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -80.52 -42.93 21.59 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -61.47 -48.56 80.55 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -154.68 82.92 1.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.369 0.986 . . . . 0.0 110.519 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.475 52.2 p-90 50.18 -94.44 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -175.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -156.62 73.74 0.79 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 155.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.6 t -89.2 88.62 7.6 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 123.786 1.755 . . . . 0.0 115.114 -162.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.917 0 O-C-N 117.028 -3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 N-CA-C 118.229 2.052 . . . . 0.0 118.229 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 t -65.8 108.36 2.1 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.18 149.48 30.87 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.067 0.947 . . . . 0.0 111.23 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 p -82.45 42.65 0.77 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -148.96 164.41 34.64 Favored 'General case' 0 CA--C 1.576 1.979 0 C-N-CA 124.739 1.215 . . . . 0.0 111.272 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.64 -51.17 53.11 Favored 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -74.03 -49.2 25.3 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -173.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 p -53.2 -59.09 5.0 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.9 91.18 2.5 Favored 'General case' 0 CA--C 1.56 1.336 0 C-N-CA 123.938 0.895 . . . . 0.0 110.537 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.46 63.4 p-90 55.15 -88.96 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 172.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -164.78 72.61 0.21 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 155.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 t -90.12 151.68 21.49 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 123.637 1.684 . . . . 0.0 115.328 -155.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.827 0 O-C-N 116.863 -3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 115.891 1.117 . . . . 0.0 115.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.4 t -118.29 119.99 36.31 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.696 0.798 . . . . 0.0 111.392 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.38 147.86 50.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 112.811 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -77.32 47.65 0.58 Allowed 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 174.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.83 150.48 19.04 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.75 -1.219 . . . . 0.0 111.249 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -61.02 -44.53 97.27 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 118.901 2.926 . . . . 0.0 118.901 -171.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -86.46 -46.16 10.46 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 120.269 -1.519 . . . . 0.0 114.445 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 p -53.41 -40.97 65.53 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.41 95.19 1.55 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.322 0.964 . . . . 0.0 110.442 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.436 43.3 p-90 43.88 -91.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 178.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -158.1 84.74 0.87 Allowed 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 142.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -83.6 150.83 25.67 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 123.954 1.835 . . . . 0.0 115.207 -164.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 116.707 -3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 114.671 0.628 . . . . 0.0 114.671 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 t -122.63 130.87 53.46 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.209 1.004 . . . . 0.0 111.084 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -144.51 137.77 27.11 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 124.026 0.93 . . . . 0.0 110.949 173.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.4 p -79.36 63.77 4.07 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 120.618 -1.302 . . . . 0.0 114.368 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -163.46 148.46 11.08 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 124.558 1.143 . . . . 0.0 110.243 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -70.52 -24.83 62.9 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 119.806 3.262 . . . . 0.0 119.806 -168.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -103.87 -39.11 6.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.9 -57.78 11.0 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.79 90.86 1.95 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 119.015 0.825 . . . . 0.0 111.042 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.483 43.5 p-90 53.83 -101.22 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -157.02 82.09 0.93 Allowed 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 153.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -91.99 98.23 11.44 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 123.847 1.784 . . . . 0.0 113.725 -164.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.887 0 O-C-N 116.809 -3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.015 0 N-CA-C 114.488 0.555 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.75 85.14 5.96 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -86.08 136.08 33.37 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 112.758 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.9 p -79.34 53.68 1.56 Allowed 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.12 161.77 41.74 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 125.176 1.391 . . . . 0.0 110.193 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -68.1 -66.29 0.59 Allowed 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -74.44 -32.09 62.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -56.74 -48.2 78.3 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.78 93.06 1.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.421 1.01 . . . . 0.0 111.249 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.447 67.3 p-90 48.52 -91.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -178.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -159.4 68.36 0.42 Allowed 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 159.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -96.66 76.18 2.82 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 123.811 1.767 . . . . 0.0 115.106 -157.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 116.348 -3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.009 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -79.15 77.07 5.66 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.03 140.41 32.72 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.848 -1.157 . . . . 0.0 114.084 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -75.24 69.27 2.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 171.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.88 153.91 12.73 Favored 'General case' 0 CA--C 1.566 1.586 0 O-C-N 120.714 -1.241 . . . . 0.0 112.842 -169.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -66.73 -55.34 15.49 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -78.88 -47.68 16.08 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -173.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -56.04 -52.18 65.14 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.44 88.59 1.44 Allowed 'General case' 0 CA--C 1.562 1.409 0 O-C-N 121.236 -0.915 . . . . 0.0 111.201 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.452 40.7 p-90 53.16 -97.92 0.07 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 171.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -155.35 76.33 0.96 Allowed 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 158.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.29 73.7 1.7 Allowed 'General case' 0 CA--C 1.568 1.658 0 CA-C-O 124.086 1.898 . . . . 0.0 114.01 -165.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.769 0 O-C-N 117.042 -3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 CA-C-O 119.849 -0.417 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -98.67 78.19 2.34 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 122.202 1.001 . . . . 0.0 111.875 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -87.37 130.47 34.63 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 111.264 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -79.94 75.82 6.65 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 123.604 1.668 . . . . 0.0 113.495 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 16.8 t70 -162.39 140.41 8.62 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.489 -164.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.53 -46.56 89.45 Favored 'General case' 0 CA--C 1.576 1.972 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -75.44 -43.96 46.84 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.453 2.39 . . . . 0.0 117.453 -171.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 14.9 p -68.78 -65.57 0.69 Allowed 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.88 92.16 3.09 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.454 1.025 . . . . 0.0 112.168 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.455 35.2 p-90 50.49 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 173.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -153.77 80.93 1.15 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 145.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -85.25 82.83 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 123.704 1.716 . . . . 0.0 114.053 -167.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 117.194 -3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.068 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.0 t -97.99 88.74 4.33 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -92.99 133.9 35.67 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.163 -0.961 . . . . 0.0 112.788 172.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -78.9 71.03 5.33 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 123.001 1.381 . . . . 0.0 114.204 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.51 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 8.8 t70 -164.83 133.07 3.31 Favored 'General case' 0 CA--C 1.571 1.767 0 C-N-CA 124.47 1.108 . . . . 0.0 108.611 -166.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -56.86 -43.12 80.87 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -71.22 -56.94 5.03 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 26.3 p -62.47 -50.61 70.76 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 117.693 2.479 . . . . 0.0 117.693 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.83 89.94 1.94 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.608 1.549 . . . . 0.0 111.982 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.505 66.1 p-90 54.09 -95.67 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -153.03 72.71 0.96 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 144.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 t -88.86 75.42 8.1 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 124.175 1.94 . . . . 0.0 115.096 -161.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.829 0 O-C-N 116.724 -3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 114.714 0.646 . . . . 0.0 114.714 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -110.57 85.51 2.12 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 123.358 0.663 . . . . 0.0 111.162 170.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -96.44 136.3 37.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.972 -1.08 . . . . 0.0 111.537 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.3 p -82.3 62.47 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -164.49 150.4 10.52 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.295 1.038 . . . . 0.0 111.061 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -56.59 -65.44 0.61 Allowed 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 118.158 2.651 . . . . 0.0 118.158 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -78.44 -9.43 59.29 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.31 -65.77 0.91 Allowed 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.65 95.19 2.19 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.005 0.922 . . . . 0.0 110.139 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.507 29.5 p-90 48.03 -106.73 0.17 Allowed 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -169.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -162.87 84.15 0.52 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 165.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.09 81.8 1.52 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 123.526 1.631 . . . . 0.0 113.999 -162.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 116.674 -3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.126 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.9 t -139.12 87.21 2.19 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 123.567 0.747 . . . . 0.0 110.483 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.6 p -90.54 147.7 23.19 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 123.588 0.755 . . . . 0.0 111.911 162.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -81.19 61.6 4.79 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 35.7 t70 -164.08 151.35 12.02 Favored 'General case' 0 CA--C 1.575 1.922 0 O-C-N 120.975 -1.078 . . . . 0.0 111.589 -166.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -53.55 -69.42 0.12 Allowed 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 117.989 2.588 . . . . 0.0 117.989 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -86.01 -12.49 50.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 5' ' ' ASP . 12.6 p -76.47 -51.07 12.47 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 168.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.75 92.84 2.2 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 119.399 1.0 . . . . 0.0 110.791 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.442 32.3 p-90 45.17 -93.86 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 176.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -153.61 76.95 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 148.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 t -91.7 89.05 6.94 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 123.684 1.707 . . . . 0.0 114.399 -161.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.976 0 O-C-N 116.715 -3.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_