data_2rv3_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 2rv3 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.4 tp -90.87 132.1 36.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.155 1.382 . . . . 0.0 111.768 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.97 114.53 15.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.658 1.583 . . . . 0.0 110.079 170.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.44 -6.78 50.22 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.345 -0.847 . . . . 0.0 113.26 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.6 mtt -92.12 -37.65 12.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.882 1.273 . . . . 0.0 113.647 -175.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.54 -16.88 4.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.274 1.43 . . . . 0.0 114.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.29 3.98 68.97 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.284 0.945 . . . . 0.0 115.409 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -71.03 145.56 49.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.983 1.391 . . . . 0.0 112.134 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -113.05 136.29 52.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.962 1.705 . . . . 0.0 111.452 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.56 156.4 44.24 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.397 1.479 . . . . 0.0 112.29 -172.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.68 -6.0 57.75 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -152.34 150.06 29.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.384 1.474 . . . . 0.0 111.38 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.54 -29.94 70.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.6 1.16 . . . . 0.0 112.578 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.174 0 C-N-CA 123.554 0.597 . . . . 0.0 112.504 172.724 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -137.66 135.55 36.62 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.41 122.95 22.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.804 1.641 . . . . 0.0 109.863 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -82.42 -0.14 44.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.788 0.835 . . . . 0.0 113.219 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.2 mtm -112.81 -33.96 5.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.091 1.356 . . . . 0.0 114.002 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -132.62 -0.59 3.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.07 86.58 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -73.09 144.76 46.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.966 1.306 . . . . 0.0 112.03 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -110.09 143.1 40.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.754 1.622 . . . . 0.0 112.587 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.36 154.41 50.84 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.218 1.807 . . . . 0.0 112.961 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.23 -18.1 47.24 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.137 1.375 . . . . 0.0 114.022 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 t -145.84 148.78 33.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 0.0 112.315 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -60.73 -29.63 69.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.897 1.279 . . . . 0.0 112.871 170.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 CA-C-N 118.784 0.72 . . . . 0.0 112.341 174.204 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.61 134.7 37.66 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.237 1.015 . . . . 0.0 112.632 -169.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.42 117.36 18.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.261 1.424 . . . . 0.0 109.575 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.61 -0.11 32.35 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.6 mtm -104.32 -35.81 7.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.9 1.28 . . . . 0.0 113.972 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.13 -7.88 4.84 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.65 77.87 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.32 142.39 50.44 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.635 1.217 . . . . 0.0 112.564 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -108.28 144.8 35.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.832 1.653 . . . . 0.0 112.777 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -138.05 154.01 49.31 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.655 1.982 . . . . 0.0 112.3 -170.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -87.28 -9.93 53.68 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -151.12 151.98 32.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.013 1.325 . . . . 0.0 111.851 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.2 -34.76 77.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.514 1.125 . . . . 0.0 111.857 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 C-N-CA 123.861 0.743 . . . . 0.0 112.579 175.231 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.92 135.72 43.79 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.86 0.864 . . . . 0.0 113.264 -168.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.87 120.78 19.93 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.474 1.509 . . . . 0.0 109.679 168.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.36 -3.64 50.36 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 112.54 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -107.27 -37.17 6.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.922 1.289 . . . . 0.0 113.723 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.84 0.1 4.28 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.003 1.321 . . . . 0.0 114.45 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.98 9.14 85.7 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 116.702 1.441 . . . . 0.0 116.702 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -76.77 144.04 39.48 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.18 142.68 35.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.727 1.611 . . . . 0.0 112.649 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.26 154.66 50.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.485 1.914 . . . . 0.0 113.219 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -80.36 -16.08 55.38 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -152.46 153.2 33.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 111.663 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -60.81 -29.56 69.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.63 1.172 . . . . 0.0 112.443 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.208 0 C-N-CA 123.546 0.594 . . . . 0.0 112.224 172.291 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.4 tp -136.12 134.9 38.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.059 0.943 . . . . 0.0 112.745 -171.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -77.25 116.57 17.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.607 1.563 . . . . 0.0 110.038 169.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.98 -1.66 44.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.67 0.788 . . . . 0.0 113.118 171.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -94.02 -43.48 8.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.474 1.109 . . . . 0.0 112.774 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.5 -2.83 4.3 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.89 7.18 81.43 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -78.12 142.57 37.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.221 1.408 . . . . 0.0 112.517 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -102.54 142.7 33.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.094 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.28 151.54 50.67 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.769 2.027 . . . . 0.0 112.83 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -77.71 -23.46 49.44 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -145.16 153.78 41.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.095 1.358 . . . . 0.0 112.234 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -61.17 -34.94 75.84 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.618 1.167 . . . . 0.0 111.984 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.138 0 C-N-CA 123.782 0.706 . . . . 0.0 112.9 175.135 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -140.36 136.76 33.48 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.89 123.58 25.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.753 1.621 . . . . 0.0 109.906 168.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.46 -2.79 54.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.733 0.813 . . . . 0.0 112.772 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm -111.44 -33.95 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.057 1.343 . . . . 0.0 114.13 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -131.23 -0.04 4.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.64 8.01 87.96 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.335 1.294 . . . . 0.0 116.335 169.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -73.42 142.96 46.9 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.106 1.362 . . . . 0.0 112.004 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -107.18 143.24 35.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.529 1.531 . . . . 0.0 112.663 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -135.34 150.37 49.94 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.177 1.791 . . . . 0.0 112.913 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -82.28 -9.16 59.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 t -151.11 148.38 28.22 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.998 1.319 . . . . 0.0 111.983 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -61.19 -29.37 69.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.011 1.324 . . . . 0.0 112.77 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 123.495 0.569 . . . . 0.0 112.173 172.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -135.96 134.76 38.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.147 0.979 . . . . 0.0 112.308 -171.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.6 t -81.38 114.83 20.41 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.53 1.532 . . . . 0.0 110.427 170.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.13 -4.71 45.87 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.8 mmt -85.58 -42.61 14.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.502 1.121 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -129.34 -16.91 3.86 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.551 1.54 . . . . 0.0 114.275 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 4.34 65.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.44 1.019 . . . . 0.0 115.373 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.88 142.6 51.18 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.837 1.319 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -107.8 143.58 36.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.797 1.639 . . . . 0.0 112.589 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.56 152.8 51.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.254 1.821 . . . . 0.0 113.087 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -79.65 -18.32 51.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 113.931 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -146.09 149.11 33.43 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.127 1.371 . . . . 0.0 112.409 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.29 -29.64 68.96 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.857 1.263 . . . . 0.0 112.748 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.143 0 C-N-CA 123.483 0.563 . . . . 0.0 111.955 173.52 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.48 135.42 44.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.866 0.867 . . . . 0.0 113.339 -169.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.92 121.47 21.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.432 1.493 . . . . 0.0 109.919 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.91 -4.56 55.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.534 0.734 . . . . 0.0 112.532 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.7 mtt -105.5 -37.41 6.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.843 1.257 . . . . 0.0 113.639 -170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.99 0.05 4.2 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.01 1.324 . . . . 0.0 114.462 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 8.74 86.32 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.587 1.395 . . . . 0.0 116.587 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.62 143.79 39.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.228 1.411 . . . . 0.0 112.427 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -105.46 142.69 34.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.669 1.588 . . . . 0.0 112.739 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.18 154.4 50.96 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.598 1.959 . . . . 0.0 113.343 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -76.14 -21.27 56.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.1 t -151.89 154.03 35.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.25 1.42 . . . . 0.0 111.583 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -60.62 -29.81 69.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.572 1.149 . . . . 0.0 112.579 169.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 CA-C-N 118.542 0.61 . . . . 0.0 112.527 172.519 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.37 136.45 34.77 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -169.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.45 123.27 25.14 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.5 1.52 . . . . 0.0 109.837 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -81.05 -5.05 57.16 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.578 0.751 . . . . 0.0 112.86 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -107.52 -34.35 7.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.975 1.31 . . . . 0.0 114.04 -169.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -130.19 -4.5 4.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 7.31 86.96 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.69 142.45 51.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.794 1.238 . . . . 0.0 112.146 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -106.97 144.66 33.29 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.609 1.564 . . . . 0.0 112.793 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -136.32 155.18 50.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.401 1.881 . . . . 0.0 112.7 -171.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -76.31 -23.88 54.33 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -149.57 152.17 35.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.855 1.262 . . . . 0.0 111.818 -169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.42 -33.39 74.69 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 C-N-CA 123.571 0.605 . . . . 0.0 112.631 173.279 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -138.74 136.71 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -74.77 121.34 21.61 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.512 1.525 . . . . 0.0 109.953 168.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.63 -5.31 54.8 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.488 0.715 . . . . 0.0 112.577 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.2 mtt -105.29 -37.51 6.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.812 1.245 . . . . 0.0 113.598 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -131.33 -0.03 4.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.027 1.331 . . . . 0.0 114.458 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.32 9.16 86.29 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 116.438 1.335 . . . . 0.0 116.438 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.0 141.66 42.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.117 1.367 . . . . 0.0 112.193 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -101.14 144.07 30.48 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 113.173 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -135.45 155.98 49.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.467 1.907 . . . . 0.0 113.189 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -76.1 -21.05 57.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -152.52 151.78 31.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.456 1.502 . . . . 0.0 111.452 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -59.82 -29.98 68.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.499 1.12 . . . . 0.0 112.663 169.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-N 118.663 0.665 . . . . 0.0 112.677 173.416 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -132.54 135.09 45.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -75.58 117.21 17.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.488 1.515 . . . . 0.0 109.755 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.39 -1.81 42.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.641 0.776 . . . . 0.0 113.055 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.6 mtt -100.49 -38.4 8.41 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.852 1.261 . . . . 0.0 113.428 -174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.38 -1.95 3.92 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 8.74 81.07 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -80.33 139.48 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.205 1.402 . . . . 0.0 112.735 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -93.5 144.7 25.12 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.291 1.437 . . . . 0.0 113.829 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.53 150.14 49.66 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.76 2.024 . . . . 0.0 112.35 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -81.35 -8.03 59.67 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -151.17 149.77 29.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.142 1.377 . . . . 0.0 111.665 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.81 -29.77 69.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 112.567 169.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.144 0 C-N-CA 123.624 0.63 . . . . 0.0 112.113 173.187 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.9 tp -130.88 132.91 45.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.588 1.155 . . . . 0.0 111.686 -171.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.3 107.23 14.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.263 1.425 . . . . 0.0 110.19 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.71 -11.71 47.61 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.165 -0.959 . . . . 0.0 113.44 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -84.62 -38.47 19.83 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.753 1.621 . . . . 0.0 113.469 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -130.56 -19.5 3.02 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.706 1.603 . . . . 0.0 114.592 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.42 5.27 61.96 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.962 1.268 . . . . 0.0 115.189 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.5 143.95 46.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.787 1.293 . . . . 0.0 112.665 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -109.62 142.76 40.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.96 1.704 . . . . 0.0 112.66 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -138.15 153.95 49.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.233 1.813 . . . . 0.0 112.765 -170.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.7 -29.52 59.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.9 t -143.44 158.18 43.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.194 1.397 . . . . 0.0 112.127 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -61.84 -34.49 76.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.46 1.104 . . . . 0.0 112.05 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 C-N-CA 123.815 0.721 . . . . 0.0 112.924 173.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -135.74 135.73 40.22 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.23 123.13 23.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.583 1.553 . . . . 0.0 109.763 168.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.27 -9.71 59.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.402 0.681 . . . . 0.0 112.453 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.66 -40.38 8.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.932 1.293 . . . . 0.0 113.47 -171.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -127.6 -4.04 5.96 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.22 7.67 84.77 Favored Glycine 0 CA--C 1.539 1.553 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 169.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.53 143.12 48.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.923 1.289 . . . . 0.0 112.377 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -107.04 144.49 33.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.658 1.583 . . . . 0.0 112.68 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.18 154.05 51.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.549 1.94 . . . . 0.0 113.02 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.19 -19.91 42.31 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.276 1.431 . . . . 0.0 114.126 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t -144.86 150.65 37.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.125 1.37 . . . . 0.0 112.332 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -61.37 -29.98 70.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.71 1.204 . . . . 0.0 112.898 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-N 119.052 0.842 . . . . 0.0 112.604 173.767 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 tp -140.61 135.12 31.42 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.42 122.38 22.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.456 1.503 . . . . 0.0 109.6 168.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.7 -2.83 48.39 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.461 -0.774 . . . . 0.0 112.728 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.0 mtm -111.42 -34.0 6.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.096 1.359 . . . . 0.0 114.078 -169.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.06 -0.33 4.15 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.79 90.65 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 116.441 1.336 . . . . 0.0 116.441 169.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -67.81 145.2 54.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.37 1.468 . . . . 0.0 111.869 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -114.32 141.52 47.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.532 1.533 . . . . 0.0 111.918 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -135.18 153.77 51.84 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.061 1.744 . . . . 0.0 113.049 -168.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -80.27 -24.78 39.83 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.145 . . . . 0.0 113.742 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 t -143.5 152.63 41.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 112.37 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -61.52 -33.18 73.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.416 1.086 . . . . 0.0 111.919 173.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 C-N-CA 123.87 0.748 . . . . 0.0 112.802 175.183 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -137.4 135.72 37.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 112.805 -170.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.37 116.42 17.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 109.861 168.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.14 14.06 4.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.159 1.383 . . . . 0.0 112.779 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 mtt -118.36 -37.22 3.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.688 1.195 . . . . 0.0 113.315 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.9 p -131.9 -0.47 3.81 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.37 7.29 82.85 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 169.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.05 143.83 37.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 112.712 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -106.44 143.32 34.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.511 1.524 . . . . 0.0 113.029 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -136.73 154.87 50.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.591 1.956 . . . . 0.0 113.037 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -82.65 -18.12 42.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -151.74 156.61 40.63 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.14 1.376 . . . . 0.0 111.84 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -61.95 -34.5 76.23 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.837 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 C-N-CA 123.771 0.701 . . . . 0.0 112.736 174.253 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.1 tp -101.12 134.72 43.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.906 1.282 . . . . 0.0 113.599 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.5 121.84 21.22 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.771 1.628 . . . . 0.0 109.686 168.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -80.45 -4.92 55.6 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.604 -0.685 . . . . 0.0 112.771 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -104.99 -33.69 8.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.058 1.343 . . . . 0.0 114.026 -169.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.35 -7.43 3.77 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 3.02 82.54 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.979 1.152 . . . . 0.0 115.979 172.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.96 144.84 55.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.788 1.235 . . . . 0.0 112.041 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -117.58 138.1 52.16 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.969 1.707 . . . . 0.0 111.214 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -132.47 157.78 43.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.93 1.692 . . . . 0.0 112.018 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -91.41 -6.83 52.21 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -152.58 155.55 37.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.82 1.248 . . . . 0.0 111.942 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.81 -41.26 77.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.886 1.274 . . . . 0.0 111.585 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 C-N-CA 123.756 0.693 . . . . 0.0 112.915 178.679 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 tp -142.34 136.64 29.86 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -168.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.26 122.49 22.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.86 1.664 . . . . 0.0 109.689 168.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -81.14 -3.69 52.92 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.468 0.707 . . . . 0.0 112.728 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -108.19 -34.82 6.73 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.046 1.339 . . . . 0.0 113.886 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.4 -0.44 3.62 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.42 3.08 90.67 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 116.405 1.322 . . . . 0.0 116.405 169.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -69.14 147.18 51.77 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 111.823 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -115.79 141.15 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.438 1.495 . . . . 0.0 112.091 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.08 154.02 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.678 1.591 . . . . 0.0 113.571 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -73.31 -22.83 60.25 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -155.6 152.81 29.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.437 1.495 . . . . 0.0 111.206 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.247 1.019 . . . . 0.0 112.243 169.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 C-N-CA 124.165 0.888 . . . . 0.0 113.864 173.718 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 tp -138.59 134.8 34.26 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -169.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -73.29 123.17 23.21 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.639 1.575 . . . . 0.0 109.664 168.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.62 -9.58 59.63 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.427 0.691 . . . . 0.0 112.491 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -100.1 -40.22 7.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 0.0 113.616 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.55 -1.66 6.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.51 8.88 85.57 Favored Glycine 0 CA--C 1.537 1.425 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 168.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.06 142.68 43.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.07 1.348 . . . . 0.0 112.319 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -105.05 143.47 33.19 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.478 1.511 . . . . 0.0 112.837 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -137.02 157.06 47.57 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.63 2.372 . . . . 0.0 110.992 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -106.66 8.44 31.11 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.1 t -149.07 145.64 27.35 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.375 1.47 . . . . 0.0 111.679 171.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -33.9 76.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.059 1.344 . . . . 0.0 111.519 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 C-N-CA 123.517 0.579 . . . . 0.0 112.828 175.159 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -135.45 133.63 38.78 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.383 1.073 . . . . 0.0 111.791 -173.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -78.49 117.04 19.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.311 1.445 . . . . 0.0 110.242 169.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.54 -5.75 48.95 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.379 -0.826 . . . . 0.0 113.14 173.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.4 mtt -93.9 -37.64 11.61 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.737 1.215 . . . . 0.0 113.566 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.84 -13.28 4.68 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.43 1.492 . . . . 0.0 114.382 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.16 72.14 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.81 141.73 48.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.671 1.236 . . . . 0.0 112.754 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -102.95 144.51 31.14 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 112.987 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.59 156.68 48.23 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.76 2.024 . . . . 0.0 112.854 -172.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -74.03 -28.98 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -150.84 156.2 40.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.929 1.292 . . . . 0.0 112.294 -167.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.01 -36.33 79.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 111.914 176.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 123.691 0.663 . . . . 0.0 112.757 175.554 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 119.776 -0.154 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -138.44 134.49 34.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 113.009 -169.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.0 120.41 20.49 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.937 1.695 . . . . 0.0 109.849 168.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.56 -4.48 58.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -90.83 -43.66 9.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.322 1.049 . . . . 0.0 113.487 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -129.21 -2.01 5.08 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.82 8.71 83.95 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.527 1.371 . . . . 0.0 116.527 168.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -76.83 143.26 39.87 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.214 1.406 . . . . 0.0 112.314 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -106.29 143.44 34.41 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.482 1.513 . . . . 0.0 113.015 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -136.07 154.83 50.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.295 1.838 . . . . 0.0 113.374 -170.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.59 -22.03 54.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.805 1.642 . . . . 0.0 115.351 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -153.52 155.38 36.1 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.055 1.342 . . . . 0.0 111.663 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -61.98 -35.14 77.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.424 1.09 . . . . 0.0 111.979 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.168 0 C-N-CA 123.811 0.719 . . . . 0.0 112.802 174.39 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -63.14 -26.36 68.78 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -89.79 -9.42 49.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.015 1.326 . . . . 0.0 114.32 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.71 154.99 8.66 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.011 0.823 . . . . 0.0 114.531 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -85.66 168.03 14.78 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.789 1.636 . . . . 0.0 113.39 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -140.59 155.63 46.51 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.595 1.558 . . . . 0.0 111.072 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.59 -150.96 51.92 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 123.998 0.809 . . . . 0.0 112.963 -171.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -141.38 136.91 31.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 111.363 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.7 p -144.85 157.29 44.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.633 1.573 . . . . 0.0 111.568 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -91.34 92.63 8.68 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 167.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.4 tp -90.87 132.1 36.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.155 1.382 . . . . 0.0 111.768 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.97 114.53 15.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.658 1.583 . . . . 0.0 110.079 170.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.44 -6.78 50.22 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.345 -0.847 . . . . 0.0 113.26 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.6 mtt -92.12 -37.65 12.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.882 1.273 . . . . 0.0 113.647 -175.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.54 -16.88 4.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.274 1.43 . . . . 0.0 114.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.29 3.98 68.97 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.284 0.945 . . . . 0.0 115.409 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -71.03 145.56 49.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.983 1.391 . . . . 0.0 112.134 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -113.05 136.29 52.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.962 1.705 . . . . 0.0 111.452 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.56 156.4 44.24 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.397 1.479 . . . . 0.0 112.29 -172.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.68 -6.0 57.75 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -152.34 150.06 29.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.384 1.474 . . . . 0.0 111.38 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.54 -29.94 70.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.6 1.16 . . . . 0.0 112.578 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.03 91.82 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.554 0.597 . . . . 0.0 112.504 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 m -68.94 -44.0 73.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.908 0.883 . . . . 0.0 111.295 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.91 -43.03 99.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.481 0.712 . . . . 0.0 111.811 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -61.43 -47.24 86.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.563 -0.71 . . . . 0.0 111.543 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -60.95 -26.03 67.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.031 0.932 . . . . 0.0 112.838 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -80.62 -43.64 20.19 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.794 1.238 . . . . 0.0 112.015 173.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -62.75 -23.22 67.09 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.66 -25.76 60.67 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.016 0.927 . . . . 0.0 113.204 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.79 -22.04 50.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.542 1.137 . . . . 0.0 112.934 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -86.53 -40.95 14.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.067 0.947 . . . . 0.0 112.22 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t -150.55 139.35 20.82 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 112.764 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.58 159.96 42.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.945 1.698 . . . . 0.0 111.071 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.57 143.55 46.4 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.825 0.85 . . . . 0.0 112.428 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 C-N-CA 125.058 1.313 . . . . 0.0 113.03 -178.809 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.519 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -148.61 150.77 33.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.172 1.389 . . . . 0.0 111.722 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -80.83 -12.55 59.41 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.938 1.295 . . . . 0.0 113.642 171.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.0 -135.33 52.08 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.536 1.065 . . . . 0.0 113.354 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -75.76 31.61 0.11 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.911 1.685 . . . . 0.0 114.474 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -60.37 147.59 40.15 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.921 -1.112 . . . . 0.0 111.687 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.15 -43.44 2.68 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.085 1.326 . . . . 0.0 113.356 -173.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -72.19 -33.61 67.79 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.163 0.985 . . . . 0.0 110.963 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 m -126.44 146.05 50.24 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.404 2.282 . . . . 0.0 108.953 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -83.9 141.85 30.98 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.517 -0.739 . . . . 0.0 110.261 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -137.66 135.55 36.62 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.41 122.95 22.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.804 1.641 . . . . 0.0 109.863 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -82.42 -0.14 44.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.788 0.835 . . . . 0.0 113.219 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.2 mtm -112.81 -33.96 5.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.091 1.356 . . . . 0.0 114.002 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -132.62 -0.59 3.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.07 86.58 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -73.09 144.76 46.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.966 1.306 . . . . 0.0 112.03 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -110.09 143.1 40.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.754 1.622 . . . . 0.0 112.587 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.36 154.41 50.84 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.218 1.807 . . . . 0.0 112.961 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.23 -18.1 47.24 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.137 1.375 . . . . 0.0 114.022 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 t -145.84 148.78 33.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 0.0 112.315 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -60.73 -29.63 69.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.897 1.279 . . . . 0.0 112.871 170.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.06 74.23 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 118.784 0.72 . . . . 0.0 112.341 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m -64.57 -42.65 95.49 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.695 0.798 . . . . 0.0 111.205 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.3 -42.4 99.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.677 0.791 . . . . 0.0 112.11 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -58.09 -47.2 83.93 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.589 1.086 . . . . 0.0 111.333 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 m -61.04 -19.93 61.95 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -87.36 -42.06 13.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.601 1.161 . . . . 0.0 112.355 171.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -63.63 -30.58 71.67 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.896 -1.128 . . . . 0.0 113.116 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -59.19 -25.08 63.64 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 170.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.31 -22.98 47.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.196 0.998 . . . . 0.0 113.308 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -82.72 -36.43 25.83 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.796 0.839 . . . . 0.0 113.157 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -74.86 151.37 38.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.525 0.73 . . . . 0.0 112.85 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.74 -7.89 59.62 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.753 1.221 . . . . 0.0 113.347 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.72 142.53 54.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.287 1.035 . . . . 0.0 112.858 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.186 1.374 . . . . 0.0 113.026 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -134.03 151.74 51.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.262 1.425 . . . . 0.0 112.147 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -86.79 -7.36 58.32 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.22 -148.48 40.97 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.445 1.021 . . . . 0.0 113.632 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -146.17 150.28 35.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.094 1.358 . . . . 0.0 112.072 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m -85.03 -7.68 59.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.93 1.292 . . . . 0.0 113.447 173.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.76 43.94 1.71 Allowed Glycine 0 CA--C 1.539 1.554 0 C-N-CA 126.054 1.788 . . . . 0.0 114.879 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -91.75 161.02 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.317 1.847 . . . . 0.0 112.948 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -124.0 141.67 51.84 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.299 1.839 . . . . 0.0 109.22 173.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -74.46 135.34 42.29 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.801 -0.562 . . . . 0.0 110.208 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.61 134.7 37.66 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.237 1.015 . . . . 0.0 112.632 -169.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.42 117.36 18.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.261 1.424 . . . . 0.0 109.575 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.61 -0.11 32.35 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.6 mtm -104.32 -35.81 7.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.9 1.28 . . . . 0.0 113.972 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.13 -7.88 4.84 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.65 77.87 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.32 142.39 50.44 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.635 1.217 . . . . 0.0 112.564 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -108.28 144.8 35.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.832 1.653 . . . . 0.0 112.777 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -138.05 154.01 49.31 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.655 1.982 . . . . 0.0 112.3 -170.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -87.28 -9.93 53.68 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -151.12 151.98 32.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.013 1.325 . . . . 0.0 111.851 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.2 -34.76 77.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.514 1.125 . . . . 0.0 111.857 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.78 -38.01 93.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.861 0.743 . . . . 0.0 112.579 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -69.49 -44.05 71.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.809 0.844 . . . . 0.0 111.269 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.2 -42.75 99.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.429 0.692 . . . . 0.0 111.701 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -61.37 -46.36 90.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.855 0.862 . . . . 0.0 111.609 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.0 m -59.92 -24.94 64.75 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.09 0.956 . . . . 0.0 113.025 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -84.35 -43.91 14.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.544 1.138 . . . . 0.0 112.367 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -63.47 -27.19 69.11 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.825 -1.172 . . . . 0.0 113.77 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -57.88 -26.99 62.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 -17.66 58.68 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.445 1.098 . . . . 0.0 113.558 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -88.42 -1.57 58.12 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.73 1.212 . . . . 0.0 113.693 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -135.82 166.31 23.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.854 1.262 . . . . 0.0 112.946 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.48 159.11 44.58 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.885 1.674 . . . . 0.0 111.886 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -77.87 -15.13 59.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 C-N-CA 125.746 1.641 . . . . 0.0 113.656 -178.288 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 52.58 32.69 12.09 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.768 1.627 . . . . 0.0 115.194 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -135.43 155.0 51.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.572 1.549 . . . . 0.0 112.358 -172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.32 -176.27 52.07 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.529 1.061 . . . . 0.0 114.654 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -150.0 164.37 35.69 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.748 1.619 . . . . 0.0 112.161 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -102.5 136.64 41.96 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.429 1.091 . . . . 0.0 112.587 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.69 65.17 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.808 1.194 . . . . 0.0 114.067 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -123.43 -8.05 8.08 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -171.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -125.4 139.06 53.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.071 1.349 . . . . 0.0 110.156 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -86.2 138.85 31.56 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.63 0.772 . . . . 0.0 109.88 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.92 135.72 43.79 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.86 0.864 . . . . 0.0 113.264 -168.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.87 120.78 19.93 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.474 1.509 . . . . 0.0 109.679 168.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.36 -3.64 50.36 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 112.54 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -107.27 -37.17 6.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.922 1.289 . . . . 0.0 113.723 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.84 0.1 4.28 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.003 1.321 . . . . 0.0 114.45 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.98 9.14 85.7 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 116.702 1.441 . . . . 0.0 116.702 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -76.77 144.04 39.48 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.18 142.68 35.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.727 1.611 . . . . 0.0 112.649 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.26 154.66 50.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.485 1.914 . . . . 0.0 113.219 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -80.36 -16.08 55.38 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -152.46 153.2 33.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 111.663 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -60.81 -29.56 69.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.63 1.172 . . . . 0.0 112.443 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -45.08 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 123.546 0.594 . . . . 0.0 112.224 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -62.74 -43.73 98.05 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.067 0.947 . . . . 0.0 111.47 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.93 -40.19 95.89 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.498 0.719 . . . . 0.0 112.126 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -60.53 -47.1 87.67 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.983 1.265 . . . . 0.0 111.453 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -59.94 -22.81 62.94 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -85.76 -43.64 13.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 112.74 172.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.43 -32.2 71.14 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.908 -1.12 . . . . 0.0 112.869 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.23 -26.75 65.14 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.09 -18.97 60.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.245 1.018 . . . . 0.0 113.542 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -86.46 -0.65 56.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.545 1.138 . . . . 0.0 113.755 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.3 t -139.25 168.13 20.52 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.909 1.284 . . . . 0.0 112.801 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.23 151.55 34.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.803 1.641 . . . . 0.0 111.843 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -82.47 157.36 23.65 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.888 1.275 . . . . 0.0 113.245 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.983 1.278 . . . . 0.0 112.883 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 m -68.69 150.3 48.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.467 1.107 . . . . 0.0 113.139 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -74.35 157.47 35.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.923 0.889 . . . . 0.0 112.139 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.34 135.89 34.21 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.215 0.912 . . . . 0.0 113.409 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -153.48 152.87 31.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 111.214 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -151.63 138.27 18.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.793 1.237 . . . . 0.0 112.163 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.78 49.37 3.61 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.577 1.561 . . . . 0.0 112.281 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt 58.05 31.92 21.31 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.68 1.592 . . . . 0.0 112.311 -168.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -86.66 146.3 26.36 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.862 2.065 . . . . 0.0 110.547 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.52 144.8 31.06 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.594 -0.691 . . . . 0.0 110.499 173.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.4 tp -136.12 134.9 38.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.059 0.943 . . . . 0.0 112.745 -171.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -77.25 116.57 17.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.607 1.563 . . . . 0.0 110.038 169.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.98 -1.66 44.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.67 0.788 . . . . 0.0 113.118 171.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -94.02 -43.48 8.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.474 1.109 . . . . 0.0 112.774 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.5 -2.83 4.3 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.89 7.18 81.43 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -78.12 142.57 37.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.221 1.408 . . . . 0.0 112.517 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -102.54 142.7 33.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.094 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.28 151.54 50.67 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.769 2.027 . . . . 0.0 112.83 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -77.71 -23.46 49.44 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -145.16 153.78 41.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.095 1.358 . . . . 0.0 112.234 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -61.17 -34.94 75.84 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.618 1.167 . . . . 0.0 111.984 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.15 -35.42 90.45 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.782 0.706 . . . . 0.0 112.9 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -70.66 -45.13 65.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 111.108 174.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.12 -43.19 95.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.552 0.741 . . . . 0.0 111.701 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -58.88 -48.76 80.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.327 1.051 . . . . 0.0 111.362 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -63.17 -25.01 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.839 0.855 . . . . 0.0 112.796 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -80.14 -42.75 22.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.718 1.207 . . . . 0.0 112.213 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.14 -20.16 65.12 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.16 -22.84 43.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.341 1.057 . . . . 0.0 113.336 169.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.0 mt -78.51 -17.82 55.67 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.829 1.252 . . . . 0.0 113.431 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -102.25 -31.55 10.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.078 1.351 . . . . 0.0 113.247 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 p -69.22 141.13 54.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.728 0.811 . . . . 0.0 112.877 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.53 -18.3 41.97 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 53.62 34.38 18.55 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.129 1.772 . . . . 0.0 114.437 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.704 1.621 . . . . 0.0 113.048 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -62.79 -20.22 64.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -171.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -76.66 -9.47 58.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.951 1.3 . . . . 0.0 114.163 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.42 153.54 52.95 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.479 1.037 . . . . 0.0 114.235 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 p -87.93 -5.68 58.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.235 1.414 . . . . 0.0 114.591 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -60.1 137.18 58.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.022 1.329 . . . . 0.0 113.05 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.78 1.73 68.01 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.293 1.277 . . . . 0.0 116.293 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.59 150.25 41.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.231 1.516 . . . . 0.0 112.298 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 144.8 56.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.39 1.476 . . . . 0.0 111.889 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -81.04 146.35 30.68 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.738 0.815 . . . . 0.0 110.325 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -140.36 136.76 33.48 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.89 123.58 25.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.753 1.621 . . . . 0.0 109.906 168.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.46 -2.79 54.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.733 0.813 . . . . 0.0 112.772 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm -111.44 -33.95 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.057 1.343 . . . . 0.0 114.13 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -131.23 -0.04 4.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.64 8.01 87.96 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.335 1.294 . . . . 0.0 116.335 169.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -73.42 142.96 46.9 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.106 1.362 . . . . 0.0 112.004 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -107.18 143.24 35.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.529 1.531 . . . . 0.0 112.663 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -135.34 150.37 49.94 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.177 1.791 . . . . 0.0 112.913 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -82.28 -9.16 59.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 t -151.11 148.38 28.22 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.998 1.319 . . . . 0.0 111.983 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -61.19 -29.37 69.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.011 1.324 . . . . 0.0 112.77 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.25 -44.65 85.4 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 123.495 0.569 . . . . 0.0 112.173 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 m -64.08 -42.85 96.81 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.868 0.867 . . . . 0.0 111.409 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.46 -41.4 98.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.246 0.618 . . . . 0.0 112.054 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.54 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.878 1.217 . . . . 0.0 111.45 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.7 m -60.76 -23.3 64.86 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -84.62 -41.11 16.7 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.328 1.051 . . . . 0.0 112.76 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.32 -32.31 72.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.868 -1.145 . . . . 0.0 112.637 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.5 -28.88 65.8 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 171.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.6 mt -72.31 -20.25 61.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.81 0.844 . . . . 0.0 112.88 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -88.61 -31.45 18.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.134 0.974 . . . . 0.0 112.888 173.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.9 p -82.74 -28.88 30.14 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 152.14 41.83 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.205 1.002 . . . . 0.0 112.31 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.63 -24.85 45.07 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 C-N-CA 125.59 1.567 . . . . 0.0 113.152 -179.269 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -67.51 150.41 48.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.537 1.135 . . . . 0.0 113.164 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 m -66.58 145.19 55.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.393 1.077 . . . . 0.0 112.602 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.78 67.8 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.85 0.738 . . . . 0.0 114.399 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -63.23 -19.76 64.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 175.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -90.89 -3.91 56.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.146 1.378 . . . . 0.0 113.584 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.33 178.21 46.03 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.106 1.336 . . . . 0.0 114.464 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.58 21.56 7.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.859 2.064 . . . . 0.0 115.877 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -65.53 142.49 58.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.754 1.221 . . . . 0.0 111.262 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -82.95 143.83 30.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.464 0.706 . . . . 0.0 110.23 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -135.96 134.76 38.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.147 0.979 . . . . 0.0 112.308 -171.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.6 t -81.38 114.83 20.41 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.53 1.532 . . . . 0.0 110.427 170.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.13 -4.71 45.87 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.8 mmt -85.58 -42.61 14.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.502 1.121 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -129.34 -16.91 3.86 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.551 1.54 . . . . 0.0 114.275 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 4.34 65.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.44 1.019 . . . . 0.0 115.373 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.88 142.6 51.18 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.837 1.319 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -107.8 143.58 36.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.797 1.639 . . . . 0.0 112.589 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.56 152.8 51.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.254 1.821 . . . . 0.0 113.087 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -79.65 -18.32 51.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 113.931 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -146.09 149.11 33.43 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.127 1.371 . . . . 0.0 112.409 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.29 -29.64 68.96 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.857 1.263 . . . . 0.0 112.748 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.11 89.07 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 123.483 0.563 . . . . 0.0 111.955 173.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -64.21 -44.02 93.19 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.873 0.869 . . . . 0.0 111.346 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -60.59 -41.0 93.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.606 0.763 . . . . 0.0 111.963 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -63.14 -48.19 79.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.287 0.949 . . . . 0.0 111.689 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.3 m -60.44 -25.51 66.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.641 0.777 . . . . 0.0 113.026 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -79.74 -43.92 21.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.381 1.072 . . . . 0.0 112.007 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -63.62 -25.37 68.19 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.77 -26.48 57.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 169.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 mt -76.22 -22.0 55.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.488 1.115 . . . . 0.0 113.205 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.19 -44.64 11.32 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.213 1.005 . . . . 0.0 111.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -155.26 145.25 21.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 112.003 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.08 157.01 36.84 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.862 0.865 . . . . 0.0 113.144 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.87 145.11 34.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.221 1.408 . . . . 0.0 111.63 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.12 1.343 . . . . 0.0 112.836 -178.327 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -62.66 -20.17 64.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -171.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -71.8 -13.22 61.63 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.861 1.264 . . . . 0.0 114.039 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.98 49.05 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.987 1.28 . . . . 0.0 114.494 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -67.95 153.59 43.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.877 1.271 . . . . 0.0 112.73 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 m -67.11 -33.83 76.31 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.37 123.65 6.33 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.383 0.992 . . . . 0.0 111.546 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -130.08 31.08 4.72 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.377 1.471 . . . . 0.0 113.284 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -134.08 141.44 47.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.679 1.591 . . . . 0.0 109.945 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -89.85 140.64 29.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.911 0.884 . . . . 0.0 109.849 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.48 135.42 44.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.866 0.867 . . . . 0.0 113.339 -169.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.92 121.47 21.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.432 1.493 . . . . 0.0 109.919 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.91 -4.56 55.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.534 0.734 . . . . 0.0 112.532 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.7 mtt -105.5 -37.41 6.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.843 1.257 . . . . 0.0 113.639 -170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.99 0.05 4.2 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.01 1.324 . . . . 0.0 114.462 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 8.74 86.32 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.587 1.395 . . . . 0.0 116.587 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.62 143.79 39.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.228 1.411 . . . . 0.0 112.427 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -105.46 142.69 34.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.669 1.588 . . . . 0.0 112.739 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.18 154.4 50.96 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.598 1.959 . . . . 0.0 113.343 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -76.14 -21.27 56.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.1 t -151.89 154.03 35.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.25 1.42 . . . . 0.0 111.583 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -60.62 -29.81 69.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.572 1.149 . . . . 0.0 112.579 169.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.32 -41.2 86.43 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.542 0.61 . . . . 0.0 112.527 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 m -66.41 -43.73 84.94 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.082 0.953 . . . . 0.0 111.319 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.87 -42.03 97.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.297 0.639 . . . . 0.0 112.009 174.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.22 -45.28 93.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.664 1.12 . . . . 0.0 111.277 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.17 -23.34 63.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.202 1.001 . . . . 0.0 113.192 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -87.2 -42.04 13.28 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.847 1.259 . . . . 0.0 112.816 172.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -61.06 -31.65 71.3 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.843 -1.161 . . . . 0.0 112.942 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.04 -22.79 63.1 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.0 -15.0 58.14 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.371 1.068 . . . . 0.0 113.692 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -87.63 -7.31 57.62 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.0 p -70.78 151.41 44.86 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.958 -1.089 . . . . 0.0 112.643 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 155.52 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.971 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.66 159.44 42.82 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.642 1.577 . . . . 0.0 112.536 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 C-N-CA 125.285 1.421 . . . . 0.0 113.123 179.085 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -62.85 150.5 41.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.866 1.266 . . . . 0.0 112.705 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m 56.33 31.84 19.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.851 1.26 . . . . 0.0 112.762 -169.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.91 -127.53 0.94 Allowed Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.745 1.164 . . . . 0.0 113.21 -170.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -62.99 -15.11 55.17 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -120.13 22.54 11.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.932 1.293 . . . . 0.0 113.681 173.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.5 -158.52 51.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.671 1.129 . . . . 0.0 113.885 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -148.71 140.49 23.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.054 1.341 . . . . 0.0 111.686 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -81.64 143.26 32.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.71 1.204 . . . . 0.0 110.93 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -84.89 144.31 28.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.648 0.779 . . . . 0.0 110.235 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.37 136.45 34.77 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -169.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.45 123.27 25.14 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.5 1.52 . . . . 0.0 109.837 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -81.05 -5.05 57.16 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.578 0.751 . . . . 0.0 112.86 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -107.52 -34.35 7.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.975 1.31 . . . . 0.0 114.04 -169.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -130.19 -4.5 4.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 7.31 86.96 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.69 142.45 51.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.794 1.238 . . . . 0.0 112.146 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -106.97 144.66 33.29 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.609 1.564 . . . . 0.0 112.793 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -136.32 155.18 50.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.401 1.881 . . . . 0.0 112.7 -171.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -76.31 -23.88 54.33 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -149.57 152.17 35.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.855 1.262 . . . . 0.0 111.818 -169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.42 -33.39 74.69 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.01 -42.61 94.6 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.571 0.605 . . . . 0.0 112.631 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -64.11 -42.52 96.84 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.031 0.933 . . . . 0.0 111.404 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.85 -41.62 97.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.253 0.621 . . . . 0.0 112.116 172.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.64 -46.82 87.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.981 1.264 . . . . 0.0 111.586 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.7 m -60.07 -21.94 62.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -86.86 -42.91 12.86 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.249 1.02 . . . . 0.0 112.803 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -59.67 -33.31 71.4 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.986 -1.071 . . . . 0.0 112.765 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.11 -26.69 66.42 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 173.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.37 -17.72 61.25 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.016 0.926 . . . . 0.0 113.383 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -86.14 1.67 49.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.577 1.151 . . . . 0.0 113.85 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 t -135.37 151.21 50.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.892 1.277 . . . . 0.0 112.752 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -11.68 61.09 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.215 1.006 . . . . 0.0 113.076 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.68 -14.77 59.93 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.594 1.158 . . . . 0.0 113.659 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 C-N-CA 125.638 1.59 . . . . 0.0 113.95 178.231 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -77.18 160.91 28.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.805 1.242 . . . . 0.0 113.193 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -80.38 -14.35 58.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.818 1.247 . . . . 0.0 114.328 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.49 173.19 43.64 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.174 1.369 . . . . 0.0 113.322 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -67.89 146.62 53.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.574 1.15 . . . . 0.0 113.259 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -151.58 148.81 28.44 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.673 1.589 . . . . 0.0 110.469 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.53 148.33 7.24 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 123.88 0.752 . . . . 0.0 113.622 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.86 14.69 1.94 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 126.492 1.917 . . . . 0.0 114.787 -170.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.81 147.12 30.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.071 1.749 . . . . 0.0 111.735 -175.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -92.93 149.08 21.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.092 0.957 . . . . 0.0 110.178 171.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -138.74 136.71 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -74.77 121.34 21.61 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.512 1.525 . . . . 0.0 109.953 168.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.63 -5.31 54.8 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.488 0.715 . . . . 0.0 112.577 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.2 mtt -105.29 -37.51 6.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.812 1.245 . . . . 0.0 113.598 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -131.33 -0.03 4.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.027 1.331 . . . . 0.0 114.458 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.32 9.16 86.29 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 116.438 1.335 . . . . 0.0 116.438 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.0 141.66 42.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.117 1.367 . . . . 0.0 112.193 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -101.14 144.07 30.48 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 113.173 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -135.45 155.98 49.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.467 1.907 . . . . 0.0 113.189 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -76.1 -21.05 57.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -152.52 151.78 31.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.456 1.502 . . . . 0.0 111.452 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -59.82 -29.98 68.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.499 1.12 . . . . 0.0 112.663 169.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.93 -40.38 74.11 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 118.663 0.665 . . . . 0.0 112.677 173.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -66.26 -42.75 88.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.765 -0.844 . . . . 0.0 111.12 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.87 -40.58 97.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.775 0.83 . . . . 0.0 112.122 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.18 -48.52 80.06 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.515 1.052 . . . . 0.0 111.376 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -61.9 -18.88 61.79 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -88.31 -43.85 11.24 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.47 1.108 . . . . 0.0 112.596 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -59.6 -33.11 71.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 0.0 113.033 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.25 -25.56 65.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 mt -78.35 -16.21 57.92 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.559 1.143 . . . . 0.0 113.858 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -79.82 -5.4 55.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -146.9 155.84 42.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.314 0.961 . . . . 0.0 113.202 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.61 10.46 4.75 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.192 1.797 . . . . 0.0 112.35 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.09 150.06 21.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.131 1.372 . . . . 0.0 112.803 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 C-N-CA 125.186 1.374 . . . . 0.0 112.942 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 112.169 -0.372 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 m -67.75 152.37 45.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.664 1.186 . . . . 0.0 113.32 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -147.23 145.92 29.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.056 1.342 . . . . 0.0 111.938 177.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.73 -7.76 77.83 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.891 1.234 . . . . 0.0 114.893 175.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -70.08 147.74 49.63 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.646 1.223 . . . . 0.0 113.341 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -148.75 145.43 27.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.316 1.446 . . . . 0.0 111.69 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.89 -2.42 78.33 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.99 1.281 . . . . 0.0 114.869 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.8 137.29 41.81 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.775 1.288 . . . . 0.0 112.392 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.71 154.87 0.07 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.953 2.101 . . . . 0.0 114.219 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -82.42 136.85 34.86 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.916 -1.115 . . . . 0.0 109.049 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -132.54 135.09 45.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -75.58 117.21 17.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.488 1.515 . . . . 0.0 109.755 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.39 -1.81 42.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.641 0.776 . . . . 0.0 113.055 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.6 mtt -100.49 -38.4 8.41 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.852 1.261 . . . . 0.0 113.428 -174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.38 -1.95 3.92 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 8.74 81.07 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -80.33 139.48 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.205 1.402 . . . . 0.0 112.735 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -93.5 144.7 25.12 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.291 1.437 . . . . 0.0 113.829 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.53 150.14 49.66 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.76 2.024 . . . . 0.0 112.35 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -81.35 -8.03 59.67 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -151.17 149.77 29.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.142 1.377 . . . . 0.0 111.665 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.81 -29.77 69.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 112.567 169.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.19 89.31 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 123.624 0.63 . . . . 0.0 112.113 173.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 m -64.81 -42.84 94.68 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.83 0.852 . . . . 0.0 111.492 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.5 -40.83 96.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.502 0.721 . . . . 0.0 111.964 173.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -62.2 -47.78 82.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.204 0.911 . . . . 0.0 111.441 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -59.8 -24.26 63.98 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -81.8 -43.08 18.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.432 1.093 . . . . 0.0 112.111 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -64.81 -27.8 69.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.864 -1.148 . . . . 0.0 113.745 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.38 -20.76 63.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 mt -82.52 -20.42 36.74 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.519 1.128 . . . . 0.0 113.224 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -82.2 -32.74 29.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.713 0.805 . . . . 0.0 112.409 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -72.32 146.38 47.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.787 0.835 . . . . 0.0 112.252 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.16 162.12 39.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 112.384 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.5 -5.51 59.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.225 1.41 . . . . 0.0 114.537 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.875 1.702 . . . . 0.0 113.689 179.165 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -68.54 155.48 39.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.6 1.16 . . . . 0.0 113.304 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -79.92 0.17 32.47 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 164.32 45.66 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.7 1.143 . . . . 0.0 114.511 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -147.35 156.45 42.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.221 1.408 . . . . 0.0 112.089 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 p -74.55 -20.05 60.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.481 1.112 . . . . 0.0 112.764 169.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.55 127.96 9.43 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.332 0.968 . . . . 0.0 111.432 169.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -137.48 163.03 32.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.362 1.465 . . . . 0.0 112.794 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m -129.81 144.0 51.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.576 1.95 . . . . 0.0 109.604 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.82 134.07 43.31 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.639 -0.663 . . . . 0.0 110.352 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.9 tp -130.88 132.91 45.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.588 1.155 . . . . 0.0 111.686 -171.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.3 107.23 14.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.263 1.425 . . . . 0.0 110.19 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.71 -11.71 47.61 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.165 -0.959 . . . . 0.0 113.44 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -84.62 -38.47 19.83 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.753 1.621 . . . . 0.0 113.469 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -130.56 -19.5 3.02 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.706 1.603 . . . . 0.0 114.592 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.42 5.27 61.96 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.962 1.268 . . . . 0.0 115.189 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.5 143.95 46.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.787 1.293 . . . . 0.0 112.665 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -109.62 142.76 40.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.96 1.704 . . . . 0.0 112.66 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -138.15 153.95 49.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.233 1.813 . . . . 0.0 112.765 -170.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.7 -29.52 59.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.9 t -143.44 158.18 43.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.194 1.397 . . . . 0.0 112.127 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -61.84 -34.49 76.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.46 1.104 . . . . 0.0 112.05 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.3 -35.24 87.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.815 0.721 . . . . 0.0 112.924 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -67.64 -45.93 73.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.21 1.004 . . . . 0.0 111.084 173.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.21 -43.77 98.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.811 0.844 . . . . 0.0 111.56 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -59.22 -46.54 88.2 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.015 0.926 . . . . 0.0 111.629 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.9 m -61.95 -24.22 66.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.14 0.976 . . . . 0.0 112.973 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -82.7 -44.2 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.658 1.183 . . . . 0.0 112.065 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -61.99 -21.39 64.81 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.71 -26.98 47.92 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.129 0.972 . . . . 0.0 113.108 169.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.74 -23.01 58.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.514 1.126 . . . . 0.0 113.098 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -88.16 -40.17 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.293 1.037 . . . . 0.0 112.073 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.7 p -83.14 -23.57 32.92 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.33 26.52 7.01 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.936 1.694 . . . . 0.0 114.028 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -72.03 145.04 48.55 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.226 1.01 . . . . 0.0 112.889 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 C-N-CA 125.178 1.37 . . . . 0.0 112.978 -178.644 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -66.17 148.09 52.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.511 1.124 . . . . 0.0 113.013 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -150.44 164.73 35.17 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.168 1.387 . . . . 0.0 111.892 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.97 167.11 40.26 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.358 1.456 . . . . 0.0 112.945 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 57.2 -170.7 0.1 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.362 1.465 . . . . 0.0 113.588 -170.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -63.97 138.74 58.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.861 1.264 . . . . 0.0 112.448 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.13 -11.84 84.67 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.449 0.94 . . . . 0.0 115.449 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.31 157.55 15.98 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.646 1.578 . . . . 0.0 112.417 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 m -123.44 142.6 50.82 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.576 1.55 . . . . 0.0 110.039 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -82.76 139.31 33.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.668 0.787 . . . . 0.0 109.987 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -135.74 135.73 40.22 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.23 123.13 23.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.583 1.553 . . . . 0.0 109.763 168.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.27 -9.71 59.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.402 0.681 . . . . 0.0 112.453 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.66 -40.38 8.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.932 1.293 . . . . 0.0 113.47 -171.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -127.6 -4.04 5.96 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.22 7.67 84.77 Favored Glycine 0 CA--C 1.539 1.553 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 169.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.53 143.12 48.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.923 1.289 . . . . 0.0 112.377 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -107.04 144.49 33.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.658 1.583 . . . . 0.0 112.68 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.18 154.05 51.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.549 1.94 . . . . 0.0 113.02 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.19 -19.91 42.31 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.276 1.431 . . . . 0.0 114.126 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t -144.86 150.65 37.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.125 1.37 . . . . 0.0 112.332 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -61.37 -29.98 70.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.71 1.204 . . . . 0.0 112.898 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.12 76.42 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-N 119.052 0.842 . . . . 0.0 112.604 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 m -67.98 -43.62 78.55 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.903 0.881 . . . . 0.0 111.09 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.62 -42.07 99.37 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.223 0.609 . . . . 0.0 111.933 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -46.97 85.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.634 1.106 . . . . 0.0 111.301 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -60.1 -22.96 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.349 1.06 . . . . 0.0 113.09 176.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -89.67 -41.56 11.86 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.007 1.323 . . . . 0.0 112.981 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -62.42 -30.51 71.28 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.8 -1.187 . . . . 0.0 112.843 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -56.91 -27.62 61.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 113.478 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.2 mt -75.12 -17.84 60.35 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.287 1.035 . . . . 0.0 113.344 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.62 0.03 52.35 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.251 1.42 . . . . 0.0 113.874 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -141.58 175.47 9.66 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.551 1.141 . . . . 0.0 113.018 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.29 30.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.3 1.44 . . . . 0.0 113.151 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -77.52 -9.23 58.79 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 125.558 1.551 . . . . 0.0 112.972 179.441 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.5 0 N-CA-C 111.846 -0.502 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m 62.8 164.86 0.11 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.733 2.013 . . . . 0.0 115.453 -176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m 62.9 -36.2 0.14 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.763 2.825 . . . . 0.0 117.537 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.47 -27.11 0.87 Allowed Glycine 0 CA--C 1.54 1.623 0 C-N-CA 126.431 1.967 . . . . 0.0 116.02 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -63.03 -24.84 68.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.537 1.535 . . . . 0.0 114.087 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -63.24 -22.13 66.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.861 1.265 . . . . 0.0 113.528 172.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.88 -11.31 54.09 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.885 1.231 . . . . 0.0 114.716 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.28 -12.16 60.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.946 1.298 . . . . 0.0 113.522 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 m -115.42 141.23 48.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.676 1.591 . . . . 0.0 110.665 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -78.4 144.12 36.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.718 -0.614 . . . . 0.0 110.235 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 tp -140.61 135.12 31.42 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.42 122.38 22.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.456 1.503 . . . . 0.0 109.6 168.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.7 -2.83 48.39 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.461 -0.774 . . . . 0.0 112.728 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.0 mtm -111.42 -34.0 6.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.096 1.359 . . . . 0.0 114.078 -169.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.06 -0.33 4.15 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.79 90.65 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 116.441 1.336 . . . . 0.0 116.441 169.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -67.81 145.2 54.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.37 1.468 . . . . 0.0 111.869 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -114.32 141.52 47.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.532 1.533 . . . . 0.0 111.918 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -135.18 153.77 51.84 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.061 1.744 . . . . 0.0 113.049 -168.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -80.27 -24.78 39.83 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.145 . . . . 0.0 113.742 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 t -143.5 152.63 41.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 112.37 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -61.52 -33.18 73.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.416 1.086 . . . . 0.0 111.919 173.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 -36.39 93.03 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.87 0.748 . . . . 0.0 112.802 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 m -70.67 -46.09 63.86 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.201 1.001 . . . . 0.0 111.214 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.06 -42.39 99.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 111.988 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.3 -52.82 41.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.094 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -68.94 -19.62 64.19 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -81.05 -42.37 21.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.063 0.945 . . . . 0.0 112.266 169.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.62 -33.13 71.1 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.991 -1.068 . . . . 0.0 112.767 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -29.87 63.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.021 0.928 . . . . 0.0 113.479 172.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.2 -17.37 62.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.306 1.042 . . . . 0.0 113.404 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -91.37 -0.3 57.63 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.936 1.294 . . . . 0.0 113.643 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -142.66 -169.6 3.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.006 1.322 . . . . 0.0 112.122 -172.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.59 31.23 12.14 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.673 1.989 . . . . 0.0 114.902 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 54.98 28.25 10.38 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.179 1.791 . . . . 0.0 114.543 -175.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 C-N-CA 125.598 1.57 . . . . 0.0 114.216 177.274 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.42 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -148.76 161.02 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 112.992 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m 56.32 23.24 7.04 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.35 64.09 2.51 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.683 1.611 . . . . 0.0 113.464 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -65.9 147.35 53.5 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.955 1.302 . . . . 0.0 112.924 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -75.66 150.1 38.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.991 0.916 . . . . 0.0 112.55 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 177.76 40.8 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.311 1.434 . . . . 0.0 113.166 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.97 -30.27 55.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.062 0.945 . . . . 0.0 112.938 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 m -74.99 141.2 43.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.932 1.293 . . . . 0.0 110.405 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -80.52 142.86 33.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.223 0.609 . . . . 0.0 110.52 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -137.4 135.72 37.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 112.805 -170.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.37 116.42 17.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 109.861 168.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.14 14.06 4.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.159 1.383 . . . . 0.0 112.779 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 mtt -118.36 -37.22 3.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.688 1.195 . . . . 0.0 113.315 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.9 p -131.9 -0.47 3.81 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.37 7.29 82.85 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 169.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.05 143.83 37.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 112.712 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -106.44 143.32 34.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.511 1.524 . . . . 0.0 113.029 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -136.73 154.87 50.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.591 1.956 . . . . 0.0 113.037 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -82.65 -18.12 42.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -151.74 156.61 40.63 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.14 1.376 . . . . 0.0 111.84 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -61.95 -34.5 76.23 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.837 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.81 -37.97 93.91 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.771 0.701 . . . . 0.0 112.736 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 m -67.49 -45.7 75.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.081 0.952 . . . . 0.0 111.02 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.76 -40.74 98.22 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.453 0.701 . . . . 0.0 111.91 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.98 -46.22 90.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.349 0.977 . . . . 0.0 111.48 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -59.78 -25.44 64.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.131 0.972 . . . . 0.0 112.81 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -84.96 -43.4 14.05 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.506 1.123 . . . . 0.0 112.697 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -58.86 -34.47 71.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.594 1.158 . . . . 0.0 112.776 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.11 -29.05 60.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.36 -25.87 62.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.883 0.873 . . . . 0.0 112.582 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -85.92 -47.64 9.45 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.091 0.956 . . . . 0.0 111.725 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.1 p -76.57 -7.54 55.4 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -171.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -19.96 64.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -80.61 140.25 35.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.304 1.042 . . . . 0.0 112.359 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 C-N-CA 125.052 1.311 . . . . 0.0 113.088 -178.786 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -135.19 151.49 50.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.213 1.405 . . . . 0.0 112.069 -176.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -76.9 -15.08 59.79 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.63 -164.45 54.05 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.22 0.914 . . . . 0.0 113.739 -174.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 p -76.38 152.32 36.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.592 1.157 . . . . 0.0 113.097 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -83.14 143.23 30.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.376 1.07 . . . . 0.0 112.933 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -177.95 34.17 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.736 1.16 . . . . 0.0 115.222 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -122.23 -14.65 7.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.413 1.485 . . . . 0.0 114.19 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -90.47 154.58 19.53 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.845 1.658 . . . . 0.0 112.799 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -92.46 99.3 12.06 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.1 tp -101.12 134.72 43.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.906 1.282 . . . . 0.0 113.599 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.5 121.84 21.22 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.771 1.628 . . . . 0.0 109.686 168.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -80.45 -4.92 55.6 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.604 -0.685 . . . . 0.0 112.771 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -104.99 -33.69 8.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.058 1.343 . . . . 0.0 114.026 -169.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.35 -7.43 3.77 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 3.02 82.54 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.979 1.152 . . . . 0.0 115.979 172.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.96 144.84 55.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.788 1.235 . . . . 0.0 112.041 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -117.58 138.1 52.16 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.969 1.707 . . . . 0.0 111.214 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -132.47 157.78 43.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.93 1.692 . . . . 0.0 112.018 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -91.41 -6.83 52.21 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -152.58 155.55 37.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.82 1.248 . . . . 0.0 111.942 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.81 -41.26 77.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.886 1.274 . . . . 0.0 111.585 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.12 -39.45 92.69 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.756 0.693 . . . . 0.0 112.915 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -65.11 -43.62 91.4 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 117.956 0.878 . . . . 0.0 111.3 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.68 -41.35 98.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.157 0.583 . . . . 0.0 111.922 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.74 -48.88 79.65 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.669 1.122 . . . . 0.0 111.531 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -60.85 -20.22 61.38 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -87.5 -43.72 11.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.314 1.046 . . . . 0.0 112.75 171.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.77 -34.36 72.89 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.915 -1.115 . . . . 0.0 112.492 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.06 -27.05 65.15 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.12 -26.55 61.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.048 0.939 . . . . 0.0 112.809 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -81.24 -45.88 15.62 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.531 0.732 . . . . 0.0 111.539 171.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -156.82 138.39 14.05 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.295 1.038 . . . . 0.0 112.442 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.86 0.83 57.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.568 1.147 . . . . 0.0 113.35 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -122.28 -31.57 3.8 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.972 1.309 . . . . 0.0 113.906 -173.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.063 1.316 . . . . 0.0 114.086 178.367 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -134.51 149.82 50.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.333 1.453 . . . . 0.0 112.133 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -80.21 -5.03 55.43 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.81 -169.99 36.02 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.423 1.487 . . . . 0.0 112.93 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -143.32 159.15 42.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 111.896 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 m -136.32 161.04 36.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.43 1.492 . . . . 0.0 112.978 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.98 73.48 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.277 0.942 . . . . 0.0 114.618 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -120.42 163.87 17.25 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.596 1.959 . . . . 0.0 112.337 -173.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.99 139.56 58.02 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.647 1.579 . . . . 0.0 113.261 -169.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -88.81 154.51 20.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.765 1.226 . . . . 0.0 110.267 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 tp -142.34 136.64 29.86 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -168.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.26 122.49 22.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.86 1.664 . . . . 0.0 109.689 168.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -81.14 -3.69 52.92 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.468 0.707 . . . . 0.0 112.728 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -108.19 -34.82 6.73 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.046 1.339 . . . . 0.0 113.886 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.4 -0.44 3.62 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.42 3.08 90.67 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 116.405 1.322 . . . . 0.0 116.405 169.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -69.14 147.18 51.77 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 111.823 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -115.79 141.15 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.438 1.495 . . . . 0.0 112.091 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.08 154.02 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.678 1.591 . . . . 0.0 113.571 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -73.31 -22.83 60.25 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -155.6 152.81 29.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.437 1.495 . . . . 0.0 111.206 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.247 1.019 . . . . 0.0 112.243 169.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.26 -27.04 73.91 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.165 0.888 . . . . 0.0 113.864 173.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -83.38 -43.93 15.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.354 1.062 . . . . 0.0 110.898 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.09 -41.26 87.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.141 0.976 . . . . 0.0 111.965 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -48.0 -51.86 22.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.685 1.194 . . . . 0.0 111.559 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.1 m -69.75 -20.81 63.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.243 1.017 . . . . 0.0 113.105 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -80.96 -41.23 23.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.951 0.9 . . . . 0.0 112.151 169.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.93 -33.94 72.55 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.018 -1.051 . . . . 0.0 112.659 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.01 -30.97 62.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 171.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.97 -21.11 62.36 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.756 0.822 . . . . 0.0 112.931 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -88.25 -36.89 16.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.107 0.963 . . . . 0.0 112.507 172.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.7 p -88.45 -28.02 21.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.22 139.29 38.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.22 0.918 . . . . 0.0 112.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -93.51 -23.48 18.33 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.415 1.086 . . . . 0.0 113.605 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.49 1.519 . . . . 0.0 112.876 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 m -67.35 150.41 49.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.582 1.153 . . . . 0.0 113.142 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -80.61 152.98 28.27 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.365 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.67 -179.41 37.56 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.961 1.267 . . . . 0.0 114.715 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -144.21 149.48 36.46 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.313 1.445 . . . . 0.0 111.96 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -73.02 153.97 40.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.378 1.071 . . . . 0.0 112.493 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.44 178.25 48.59 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.344 0.973 . . . . 0.0 113.525 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -83.01 37.92 0.56 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.778 1.631 . . . . 0.0 113.23 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 m -145.75 140.64 27.33 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.648 1.579 . . . . 0.0 110.119 -173.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -84.23 144.19 29.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.631 1.172 . . . . 0.0 110.422 174.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 tp -138.59 134.8 34.26 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -169.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -73.29 123.17 23.21 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.639 1.575 . . . . 0.0 109.664 168.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.62 -9.58 59.63 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.427 0.691 . . . . 0.0 112.491 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -100.1 -40.22 7.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 0.0 113.616 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.55 -1.66 6.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.51 8.88 85.57 Favored Glycine 0 CA--C 1.537 1.425 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 168.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.06 142.68 43.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.07 1.348 . . . . 0.0 112.319 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -105.05 143.47 33.19 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.478 1.511 . . . . 0.0 112.837 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -137.02 157.06 47.57 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.63 2.372 . . . . 0.0 110.992 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -106.66 8.44 31.11 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.1 t -149.07 145.64 27.35 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.375 1.47 . . . . 0.0 111.679 171.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -33.9 76.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.059 1.344 . . . . 0.0 111.519 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -38.01 91.14 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.517 0.579 . . . . 0.0 112.828 175.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 m -68.0 -43.7 78.28 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 117.733 0.766 . . . . 0.0 111.202 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.6 -41.58 97.65 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.054 0.541 . . . . 0.0 111.848 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -60.38 -48.07 83.32 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.248 0.931 . . . . 0.0 111.399 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -56.78 -28.71 61.74 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.248 1.019 . . . . 0.0 112.571 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -84.26 -41.46 16.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.62 1.168 . . . . 0.0 112.958 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -63.99 -29.94 71.06 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.699 -1.25 . . . . 0.0 113.156 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.66 -23.13 58.67 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.2 -19.09 57.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.292 1.037 . . . . 0.0 113.057 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -100.02 -35.06 9.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.136 1.374 . . . . 0.0 113.447 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -71.92 152.34 42.62 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.71 9.71 16.47 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.356 1.463 . . . . 0.0 114.014 -173.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.7 146.82 34.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.668 1.587 . . . . 0.0 111.7 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.186 0 C-N-CA 125.346 1.451 . . . . 0.0 113.049 -178.18 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -155.62 158.66 38.71 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.549 1.54 . . . . 0.0 111.183 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -78.94 53.13 1.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.4 1.48 . . . . 0.0 111.47 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.02 14.16 23.08 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.597 1.57 . . . . 0.0 114.325 -170.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m 52.11 24.37 2.7 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.374 1.87 . . . . 0.0 113.923 -168.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -101.92 -40.75 6.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.389 1.475 . . . . 0.0 112.03 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.91 153.47 40.08 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.944 0.783 . . . . 0.0 112.557 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -83.08 131.91 35.13 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.975 0.91 . . . . 0.0 111.029 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 m -147.69 145.3 28.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.494 1.518 . . . . 0.0 109.558 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -79.27 141.21 37.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.739 -0.601 . . . . 0.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -135.45 133.63 38.78 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.383 1.073 . . . . 0.0 111.791 -173.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -78.49 117.04 19.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.311 1.445 . . . . 0.0 110.242 169.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.54 -5.75 48.95 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.379 -0.826 . . . . 0.0 113.14 173.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.4 mtt -93.9 -37.64 11.61 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.737 1.215 . . . . 0.0 113.566 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.84 -13.28 4.68 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.43 1.492 . . . . 0.0 114.382 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.16 72.14 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.81 141.73 48.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.671 1.236 . . . . 0.0 112.754 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -102.95 144.51 31.14 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 112.987 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.59 156.68 48.23 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.76 2.024 . . . . 0.0 112.854 -172.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -74.03 -28.98 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -150.84 156.2 40.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.929 1.292 . . . . 0.0 112.294 -167.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.01 -36.33 79.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 111.914 176.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.97 94.54 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 123.691 0.663 . . . . 0.0 112.757 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 -46.22 70.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.009 0.923 . . . . 0.0 111.207 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.78 -42.36 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 111.716 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.24 -48.23 80.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 111.453 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 m -60.59 -26.42 66.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.997 0.919 . . . . 0.0 112.656 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -79.9 -45.61 18.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.487 1.115 . . . . 0.0 111.993 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.87 -24.27 67.73 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.06 -27.6 54.13 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 169.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.3 mt -77.74 -16.15 58.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.591 1.156 . . . . 0.0 113.626 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -88.99 -4.15 58.51 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.628 1.171 . . . . 0.0 113.718 176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -137.51 168.01 20.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.564 1.145 . . . . 0.0 113.313 -171.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.41 166.6 13.62 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.559 1.544 . . . . 0.0 112.94 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.48 -16.55 60.85 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 C-N-CA 125.606 1.574 . . . . 0.0 112.922 -179.625 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -147.41 175.52 10.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.33 1.452 . . . . 0.0 112.228 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -79.17 27.45 0.24 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.437 1.495 . . . . 0.0 113.783 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.2 38.71 9.8 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 120.889 -1.132 . . . . 0.0 113.444 -174.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -60.4 -22.83 63.82 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -70.05 -18.41 63.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.03 1.332 . . . . 0.0 113.917 174.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.94 122.46 0.63 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.528 1.061 . . . . 0.0 112.822 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -88.03 157.62 18.84 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.547 1.539 . . . . 0.0 112.114 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -133.84 143.15 48.15 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.218 1.407 . . . . 0.0 110.49 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -84.38 144.1 29.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.829 0.852 . . . . 0.0 110.682 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -138.44 134.49 34.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 113.009 -169.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.0 120.41 20.49 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.937 1.695 . . . . 0.0 109.849 168.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.56 -4.48 58.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -90.83 -43.66 9.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.322 1.049 . . . . 0.0 113.487 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -129.21 -2.01 5.08 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.82 8.71 83.95 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.527 1.371 . . . . 0.0 116.527 168.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -76.83 143.26 39.87 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.214 1.406 . . . . 0.0 112.314 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -106.29 143.44 34.41 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.482 1.513 . . . . 0.0 113.015 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -136.07 154.83 50.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.295 1.838 . . . . 0.0 113.374 -170.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.59 -22.03 54.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.805 1.642 . . . . 0.0 115.351 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -153.52 155.38 36.1 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.055 1.342 . . . . 0.0 111.663 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -61.98 -35.14 77.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.424 1.09 . . . . 0.0 111.979 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.4 92.69 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.811 0.719 . . . . 0.0 112.802 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -69.36 -43.56 73.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.853 0.861 . . . . 0.0 111.259 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.33 -42.34 99.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.461 0.704 . . . . 0.0 111.926 173.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -61.48 -44.32 97.29 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.575 1.15 . . . . 0.0 111.444 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 m -60.91 -26.02 67.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.862 0.865 . . . . 0.0 112.918 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -84.04 -42.58 16.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.591 1.156 . . . . 0.0 112.461 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -63.24 -30.29 71.46 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.834 -1.166 . . . . 0.0 113.471 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.74 -25.71 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.9 -30.06 61.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.215 1.006 . . . . 0.0 112.571 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.99 -50.1 11.66 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.772 0.829 . . . . 0.0 111.0 170.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 m -89.17 45.88 1.33 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.296 1.838 . . . . 0.0 111.282 -175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.26 -14.47 63.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.562 1.145 . . . . 0.0 113.808 -174.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.97 -10.99 59.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.239 1.815 . . . . 0.0 114.056 173.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.252 0 C-N-CA 125.699 1.618 . . . . 0.0 114.568 176.369 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.4 tp -90.87 132.1 36.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.155 1.382 . . . . 0.0 111.768 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.97 114.53 15.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.658 1.583 . . . . 0.0 110.079 170.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.44 -6.78 50.22 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.345 -0.847 . . . . 0.0 113.26 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.6 mtt -92.12 -37.65 12.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.882 1.273 . . . . 0.0 113.647 -175.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.54 -16.88 4.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.274 1.43 . . . . 0.0 114.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.29 3.98 68.97 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.284 0.945 . . . . 0.0 115.409 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -71.03 145.56 49.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.983 1.391 . . . . 0.0 112.134 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -113.05 136.29 52.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.962 1.705 . . . . 0.0 111.452 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.56 156.4 44.24 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.397 1.479 . . . . 0.0 112.29 -172.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.68 -6.0 57.75 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -152.34 150.06 29.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.384 1.474 . . . . 0.0 111.38 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.54 -29.94 70.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.6 1.16 . . . . 0.0 112.578 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.174 0 C-N-CA 123.554 0.597 . . . . 0.0 112.504 172.724 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -137.66 135.55 36.62 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.41 122.95 22.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.804 1.641 . . . . 0.0 109.863 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -82.42 -0.14 44.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.788 0.835 . . . . 0.0 113.219 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.2 mtm -112.81 -33.96 5.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.091 1.356 . . . . 0.0 114.002 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -132.62 -0.59 3.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.07 86.58 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -73.09 144.76 46.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.966 1.306 . . . . 0.0 112.03 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -110.09 143.1 40.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.754 1.622 . . . . 0.0 112.587 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.36 154.41 50.84 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.218 1.807 . . . . 0.0 112.961 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.23 -18.1 47.24 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.137 1.375 . . . . 0.0 114.022 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 t -145.84 148.78 33.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 0.0 112.315 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -60.73 -29.63 69.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.897 1.279 . . . . 0.0 112.871 170.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 CA-C-N 118.784 0.72 . . . . 0.0 112.341 174.204 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.61 134.7 37.66 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.237 1.015 . . . . 0.0 112.632 -169.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.42 117.36 18.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.261 1.424 . . . . 0.0 109.575 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.61 -0.11 32.35 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.6 mtm -104.32 -35.81 7.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.9 1.28 . . . . 0.0 113.972 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.13 -7.88 4.84 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.65 77.87 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.32 142.39 50.44 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.635 1.217 . . . . 0.0 112.564 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -108.28 144.8 35.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.832 1.653 . . . . 0.0 112.777 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -138.05 154.01 49.31 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.655 1.982 . . . . 0.0 112.3 -170.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -87.28 -9.93 53.68 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -151.12 151.98 32.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.013 1.325 . . . . 0.0 111.851 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.2 -34.76 77.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.514 1.125 . . . . 0.0 111.857 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 C-N-CA 123.861 0.743 . . . . 0.0 112.579 175.231 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.92 135.72 43.79 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.86 0.864 . . . . 0.0 113.264 -168.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.87 120.78 19.93 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.474 1.509 . . . . 0.0 109.679 168.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.36 -3.64 50.36 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 112.54 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -107.27 -37.17 6.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.922 1.289 . . . . 0.0 113.723 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.84 0.1 4.28 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.003 1.321 . . . . 0.0 114.45 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.98 9.14 85.7 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 116.702 1.441 . . . . 0.0 116.702 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -76.77 144.04 39.48 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.18 142.68 35.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.727 1.611 . . . . 0.0 112.649 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.26 154.66 50.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.485 1.914 . . . . 0.0 113.219 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -80.36 -16.08 55.38 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -152.46 153.2 33.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 111.663 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -60.81 -29.56 69.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.63 1.172 . . . . 0.0 112.443 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.208 0 C-N-CA 123.546 0.594 . . . . 0.0 112.224 172.291 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.4 tp -136.12 134.9 38.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.059 0.943 . . . . 0.0 112.745 -171.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -77.25 116.57 17.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.607 1.563 . . . . 0.0 110.038 169.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.98 -1.66 44.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.67 0.788 . . . . 0.0 113.118 171.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -94.02 -43.48 8.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.474 1.109 . . . . 0.0 112.774 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.5 -2.83 4.3 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.89 7.18 81.43 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -78.12 142.57 37.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.221 1.408 . . . . 0.0 112.517 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -102.54 142.7 33.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.094 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.28 151.54 50.67 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.769 2.027 . . . . 0.0 112.83 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -77.71 -23.46 49.44 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -145.16 153.78 41.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.095 1.358 . . . . 0.0 112.234 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -61.17 -34.94 75.84 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.618 1.167 . . . . 0.0 111.984 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.138 0 C-N-CA 123.782 0.706 . . . . 0.0 112.9 175.135 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -140.36 136.76 33.48 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.89 123.58 25.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.753 1.621 . . . . 0.0 109.906 168.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.46 -2.79 54.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.733 0.813 . . . . 0.0 112.772 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm -111.44 -33.95 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.057 1.343 . . . . 0.0 114.13 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -131.23 -0.04 4.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.64 8.01 87.96 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.335 1.294 . . . . 0.0 116.335 169.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -73.42 142.96 46.9 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.106 1.362 . . . . 0.0 112.004 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -107.18 143.24 35.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.529 1.531 . . . . 0.0 112.663 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -135.34 150.37 49.94 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.177 1.791 . . . . 0.0 112.913 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -82.28 -9.16 59.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 t -151.11 148.38 28.22 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.998 1.319 . . . . 0.0 111.983 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -61.19 -29.37 69.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.011 1.324 . . . . 0.0 112.77 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 123.495 0.569 . . . . 0.0 112.173 172.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -135.96 134.76 38.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.147 0.979 . . . . 0.0 112.308 -171.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.6 t -81.38 114.83 20.41 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.53 1.532 . . . . 0.0 110.427 170.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.13 -4.71 45.87 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.8 mmt -85.58 -42.61 14.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.502 1.121 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -129.34 -16.91 3.86 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.551 1.54 . . . . 0.0 114.275 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 4.34 65.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.44 1.019 . . . . 0.0 115.373 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.88 142.6 51.18 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.837 1.319 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -107.8 143.58 36.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.797 1.639 . . . . 0.0 112.589 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.56 152.8 51.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.254 1.821 . . . . 0.0 113.087 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -79.65 -18.32 51.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 113.931 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -146.09 149.11 33.43 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.127 1.371 . . . . 0.0 112.409 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.29 -29.64 68.96 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.857 1.263 . . . . 0.0 112.748 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.143 0 C-N-CA 123.483 0.563 . . . . 0.0 111.955 173.52 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.48 135.42 44.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.866 0.867 . . . . 0.0 113.339 -169.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.92 121.47 21.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.432 1.493 . . . . 0.0 109.919 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.91 -4.56 55.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.534 0.734 . . . . 0.0 112.532 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.7 mtt -105.5 -37.41 6.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.843 1.257 . . . . 0.0 113.639 -170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.99 0.05 4.2 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.01 1.324 . . . . 0.0 114.462 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 8.74 86.32 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.587 1.395 . . . . 0.0 116.587 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.62 143.79 39.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.228 1.411 . . . . 0.0 112.427 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -105.46 142.69 34.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.669 1.588 . . . . 0.0 112.739 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.18 154.4 50.96 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.598 1.959 . . . . 0.0 113.343 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -76.14 -21.27 56.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.1 t -151.89 154.03 35.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.25 1.42 . . . . 0.0 111.583 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -60.62 -29.81 69.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.572 1.149 . . . . 0.0 112.579 169.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 CA-C-N 118.542 0.61 . . . . 0.0 112.527 172.519 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.37 136.45 34.77 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -169.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.45 123.27 25.14 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.5 1.52 . . . . 0.0 109.837 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -81.05 -5.05 57.16 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.578 0.751 . . . . 0.0 112.86 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -107.52 -34.35 7.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.975 1.31 . . . . 0.0 114.04 -169.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -130.19 -4.5 4.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 7.31 86.96 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.69 142.45 51.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.794 1.238 . . . . 0.0 112.146 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -106.97 144.66 33.29 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.609 1.564 . . . . 0.0 112.793 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -136.32 155.18 50.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.401 1.881 . . . . 0.0 112.7 -171.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -76.31 -23.88 54.33 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -149.57 152.17 35.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.855 1.262 . . . . 0.0 111.818 -169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.42 -33.39 74.69 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 C-N-CA 123.571 0.605 . . . . 0.0 112.631 173.279 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -138.74 136.71 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -74.77 121.34 21.61 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.512 1.525 . . . . 0.0 109.953 168.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.63 -5.31 54.8 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.488 0.715 . . . . 0.0 112.577 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.2 mtt -105.29 -37.51 6.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.812 1.245 . . . . 0.0 113.598 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -131.33 -0.03 4.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.027 1.331 . . . . 0.0 114.458 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.32 9.16 86.29 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 116.438 1.335 . . . . 0.0 116.438 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.0 141.66 42.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.117 1.367 . . . . 0.0 112.193 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -101.14 144.07 30.48 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 113.173 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -135.45 155.98 49.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.467 1.907 . . . . 0.0 113.189 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -76.1 -21.05 57.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -152.52 151.78 31.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.456 1.502 . . . . 0.0 111.452 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -59.82 -29.98 68.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.499 1.12 . . . . 0.0 112.663 169.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-N 118.663 0.665 . . . . 0.0 112.677 173.416 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -132.54 135.09 45.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -75.58 117.21 17.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.488 1.515 . . . . 0.0 109.755 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.39 -1.81 42.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.641 0.776 . . . . 0.0 113.055 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.6 mtt -100.49 -38.4 8.41 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.852 1.261 . . . . 0.0 113.428 -174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.38 -1.95 3.92 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 8.74 81.07 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -80.33 139.48 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.205 1.402 . . . . 0.0 112.735 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -93.5 144.7 25.12 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.291 1.437 . . . . 0.0 113.829 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.53 150.14 49.66 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.76 2.024 . . . . 0.0 112.35 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -81.35 -8.03 59.67 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -151.17 149.77 29.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.142 1.377 . . . . 0.0 111.665 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.81 -29.77 69.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 112.567 169.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.144 0 C-N-CA 123.624 0.63 . . . . 0.0 112.113 173.187 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.9 tp -130.88 132.91 45.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.588 1.155 . . . . 0.0 111.686 -171.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.3 107.23 14.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.263 1.425 . . . . 0.0 110.19 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.71 -11.71 47.61 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.165 -0.959 . . . . 0.0 113.44 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -84.62 -38.47 19.83 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.753 1.621 . . . . 0.0 113.469 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -130.56 -19.5 3.02 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.706 1.603 . . . . 0.0 114.592 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.42 5.27 61.96 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.962 1.268 . . . . 0.0 115.189 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.5 143.95 46.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.787 1.293 . . . . 0.0 112.665 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -109.62 142.76 40.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.96 1.704 . . . . 0.0 112.66 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -138.15 153.95 49.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.233 1.813 . . . . 0.0 112.765 -170.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.7 -29.52 59.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.9 t -143.44 158.18 43.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.194 1.397 . . . . 0.0 112.127 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -61.84 -34.49 76.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.46 1.104 . . . . 0.0 112.05 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 C-N-CA 123.815 0.721 . . . . 0.0 112.924 173.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -135.74 135.73 40.22 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.23 123.13 23.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.583 1.553 . . . . 0.0 109.763 168.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.27 -9.71 59.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.402 0.681 . . . . 0.0 112.453 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.66 -40.38 8.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.932 1.293 . . . . 0.0 113.47 -171.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -127.6 -4.04 5.96 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.22 7.67 84.77 Favored Glycine 0 CA--C 1.539 1.553 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 169.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.53 143.12 48.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.923 1.289 . . . . 0.0 112.377 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -107.04 144.49 33.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.658 1.583 . . . . 0.0 112.68 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.18 154.05 51.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.549 1.94 . . . . 0.0 113.02 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.19 -19.91 42.31 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.276 1.431 . . . . 0.0 114.126 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t -144.86 150.65 37.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.125 1.37 . . . . 0.0 112.332 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -61.37 -29.98 70.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.71 1.204 . . . . 0.0 112.898 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-N 119.052 0.842 . . . . 0.0 112.604 173.767 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 tp -140.61 135.12 31.42 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.42 122.38 22.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.456 1.503 . . . . 0.0 109.6 168.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.7 -2.83 48.39 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.461 -0.774 . . . . 0.0 112.728 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.0 mtm -111.42 -34.0 6.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.096 1.359 . . . . 0.0 114.078 -169.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.06 -0.33 4.15 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.79 90.65 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 116.441 1.336 . . . . 0.0 116.441 169.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -67.81 145.2 54.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.37 1.468 . . . . 0.0 111.869 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -114.32 141.52 47.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.532 1.533 . . . . 0.0 111.918 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -135.18 153.77 51.84 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.061 1.744 . . . . 0.0 113.049 -168.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -80.27 -24.78 39.83 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.145 . . . . 0.0 113.742 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 t -143.5 152.63 41.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 112.37 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -61.52 -33.18 73.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.416 1.086 . . . . 0.0 111.919 173.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 C-N-CA 123.87 0.748 . . . . 0.0 112.802 175.183 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -137.4 135.72 37.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 112.805 -170.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.37 116.42 17.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 109.861 168.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.14 14.06 4.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.159 1.383 . . . . 0.0 112.779 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 mtt -118.36 -37.22 3.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.688 1.195 . . . . 0.0 113.315 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.9 p -131.9 -0.47 3.81 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.37 7.29 82.85 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 169.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.05 143.83 37.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 112.712 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -106.44 143.32 34.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.511 1.524 . . . . 0.0 113.029 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -136.73 154.87 50.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.591 1.956 . . . . 0.0 113.037 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -82.65 -18.12 42.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -151.74 156.61 40.63 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.14 1.376 . . . . 0.0 111.84 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -61.95 -34.5 76.23 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.837 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 C-N-CA 123.771 0.701 . . . . 0.0 112.736 174.253 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.1 tp -101.12 134.72 43.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.906 1.282 . . . . 0.0 113.599 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.5 121.84 21.22 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.771 1.628 . . . . 0.0 109.686 168.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -80.45 -4.92 55.6 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.604 -0.685 . . . . 0.0 112.771 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -104.99 -33.69 8.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.058 1.343 . . . . 0.0 114.026 -169.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.35 -7.43 3.77 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 3.02 82.54 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.979 1.152 . . . . 0.0 115.979 172.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.96 144.84 55.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.788 1.235 . . . . 0.0 112.041 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -117.58 138.1 52.16 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.969 1.707 . . . . 0.0 111.214 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -132.47 157.78 43.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.93 1.692 . . . . 0.0 112.018 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -91.41 -6.83 52.21 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -152.58 155.55 37.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.82 1.248 . . . . 0.0 111.942 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.81 -41.26 77.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.886 1.274 . . . . 0.0 111.585 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 C-N-CA 123.756 0.693 . . . . 0.0 112.915 178.679 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 tp -142.34 136.64 29.86 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -168.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.26 122.49 22.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.86 1.664 . . . . 0.0 109.689 168.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -81.14 -3.69 52.92 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.468 0.707 . . . . 0.0 112.728 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -108.19 -34.82 6.73 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.046 1.339 . . . . 0.0 113.886 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.4 -0.44 3.62 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.42 3.08 90.67 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 116.405 1.322 . . . . 0.0 116.405 169.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -69.14 147.18 51.77 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 111.823 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -115.79 141.15 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.438 1.495 . . . . 0.0 112.091 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.08 154.02 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.678 1.591 . . . . 0.0 113.571 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -73.31 -22.83 60.25 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -155.6 152.81 29.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.437 1.495 . . . . 0.0 111.206 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.247 1.019 . . . . 0.0 112.243 169.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 C-N-CA 124.165 0.888 . . . . 0.0 113.864 173.718 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 tp -138.59 134.8 34.26 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -169.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -73.29 123.17 23.21 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.639 1.575 . . . . 0.0 109.664 168.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.62 -9.58 59.63 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.427 0.691 . . . . 0.0 112.491 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -100.1 -40.22 7.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 0.0 113.616 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.55 -1.66 6.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.51 8.88 85.57 Favored Glycine 0 CA--C 1.537 1.425 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 168.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.06 142.68 43.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.07 1.348 . . . . 0.0 112.319 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -105.05 143.47 33.19 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.478 1.511 . . . . 0.0 112.837 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -137.02 157.06 47.57 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.63 2.372 . . . . 0.0 110.992 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -106.66 8.44 31.11 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.1 t -149.07 145.64 27.35 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.375 1.47 . . . . 0.0 111.679 171.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -33.9 76.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.059 1.344 . . . . 0.0 111.519 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 C-N-CA 123.517 0.579 . . . . 0.0 112.828 175.159 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -135.45 133.63 38.78 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.383 1.073 . . . . 0.0 111.791 -173.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -78.49 117.04 19.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.311 1.445 . . . . 0.0 110.242 169.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.54 -5.75 48.95 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.379 -0.826 . . . . 0.0 113.14 173.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.4 mtt -93.9 -37.64 11.61 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.737 1.215 . . . . 0.0 113.566 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.84 -13.28 4.68 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.43 1.492 . . . . 0.0 114.382 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.16 72.14 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.81 141.73 48.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.671 1.236 . . . . 0.0 112.754 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -102.95 144.51 31.14 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 112.987 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.59 156.68 48.23 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.76 2.024 . . . . 0.0 112.854 -172.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -74.03 -28.98 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -150.84 156.2 40.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.929 1.292 . . . . 0.0 112.294 -167.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.01 -36.33 79.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 111.914 176.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 123.691 0.663 . . . . 0.0 112.757 175.554 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 119.776 -0.154 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -138.44 134.49 34.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 113.009 -169.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.0 120.41 20.49 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.937 1.695 . . . . 0.0 109.849 168.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.56 -4.48 58.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -90.83 -43.66 9.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.322 1.049 . . . . 0.0 113.487 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -129.21 -2.01 5.08 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.82 8.71 83.95 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.527 1.371 . . . . 0.0 116.527 168.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -76.83 143.26 39.87 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.214 1.406 . . . . 0.0 112.314 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -106.29 143.44 34.41 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.482 1.513 . . . . 0.0 113.015 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -136.07 154.83 50.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.295 1.838 . . . . 0.0 113.374 -170.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.59 -22.03 54.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.805 1.642 . . . . 0.0 115.351 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -153.52 155.38 36.1 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.055 1.342 . . . . 0.0 111.663 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -61.98 -35.14 77.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.424 1.09 . . . . 0.0 111.979 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.168 0 C-N-CA 123.811 0.719 . . . . 0.0 112.802 174.39 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -63.14 -26.36 68.78 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -89.79 -9.42 49.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.015 1.326 . . . . 0.0 114.32 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.71 154.99 8.66 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.011 0.823 . . . . 0.0 114.531 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -85.66 168.03 14.78 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.789 1.636 . . . . 0.0 113.39 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -140.59 155.63 46.51 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.595 1.558 . . . . 0.0 111.072 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.59 -150.96 51.92 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 123.998 0.809 . . . . 0.0 112.963 -171.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -141.38 136.91 31.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 111.363 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.7 p -144.85 157.29 44.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.633 1.573 . . . . 0.0 111.568 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -91.34 92.63 8.68 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 167.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.4 tp -90.87 132.1 36.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.155 1.382 . . . . 0.0 111.768 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.97 114.53 15.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.658 1.583 . . . . 0.0 110.079 170.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.44 -6.78 50.22 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.345 -0.847 . . . . 0.0 113.26 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.6 mtt -92.12 -37.65 12.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.882 1.273 . . . . 0.0 113.647 -175.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.54 -16.88 4.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.274 1.43 . . . . 0.0 114.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.29 3.98 68.97 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.284 0.945 . . . . 0.0 115.409 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -71.03 145.56 49.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.983 1.391 . . . . 0.0 112.134 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -113.05 136.29 52.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.962 1.705 . . . . 0.0 111.452 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.56 156.4 44.24 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.397 1.479 . . . . 0.0 112.29 -172.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.68 -6.0 57.75 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -152.34 150.06 29.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.384 1.474 . . . . 0.0 111.38 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.54 -29.94 70.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.6 1.16 . . . . 0.0 112.578 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.03 91.82 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.554 0.597 . . . . 0.0 112.504 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 m -68.94 -44.0 73.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.908 0.883 . . . . 0.0 111.295 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.91 -43.03 99.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.481 0.712 . . . . 0.0 111.811 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -61.43 -47.24 86.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.563 -0.71 . . . . 0.0 111.543 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -60.95 -26.03 67.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.031 0.932 . . . . 0.0 112.838 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -80.62 -43.64 20.19 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.794 1.238 . . . . 0.0 112.015 173.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -62.75 -23.22 67.09 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.66 -25.76 60.67 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.016 0.927 . . . . 0.0 113.204 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.79 -22.04 50.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.542 1.137 . . . . 0.0 112.934 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -86.53 -40.95 14.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.067 0.947 . . . . 0.0 112.22 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t -150.55 139.35 20.82 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 112.764 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.58 159.96 42.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.945 1.698 . . . . 0.0 111.071 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.57 143.55 46.4 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.825 0.85 . . . . 0.0 112.428 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 C-N-CA 125.058 1.313 . . . . 0.0 113.03 -178.809 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.519 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -148.61 150.77 33.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.172 1.389 . . . . 0.0 111.722 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -80.83 -12.55 59.41 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.938 1.295 . . . . 0.0 113.642 171.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.0 -135.33 52.08 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.536 1.065 . . . . 0.0 113.354 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -75.76 31.61 0.11 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.911 1.685 . . . . 0.0 114.474 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -60.37 147.59 40.15 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.921 -1.112 . . . . 0.0 111.687 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.15 -43.44 2.68 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.085 1.326 . . . . 0.0 113.356 -173.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -72.19 -33.61 67.79 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.163 0.985 . . . . 0.0 110.963 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 m -126.44 146.05 50.24 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.404 2.282 . . . . 0.0 108.953 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -83.9 141.85 30.98 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.517 -0.739 . . . . 0.0 110.261 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -137.66 135.55 36.62 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.41 122.95 22.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.804 1.641 . . . . 0.0 109.863 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -82.42 -0.14 44.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.788 0.835 . . . . 0.0 113.219 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.2 mtm -112.81 -33.96 5.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.091 1.356 . . . . 0.0 114.002 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -132.62 -0.59 3.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.07 86.58 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -73.09 144.76 46.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.966 1.306 . . . . 0.0 112.03 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -110.09 143.1 40.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.754 1.622 . . . . 0.0 112.587 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.36 154.41 50.84 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.218 1.807 . . . . 0.0 112.961 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.23 -18.1 47.24 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.137 1.375 . . . . 0.0 114.022 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 t -145.84 148.78 33.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 0.0 112.315 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -60.73 -29.63 69.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.897 1.279 . . . . 0.0 112.871 170.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.06 74.23 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 118.784 0.72 . . . . 0.0 112.341 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m -64.57 -42.65 95.49 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.695 0.798 . . . . 0.0 111.205 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.3 -42.4 99.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.677 0.791 . . . . 0.0 112.11 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -58.09 -47.2 83.93 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.589 1.086 . . . . 0.0 111.333 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 m -61.04 -19.93 61.95 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -87.36 -42.06 13.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.601 1.161 . . . . 0.0 112.355 171.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -63.63 -30.58 71.67 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.896 -1.128 . . . . 0.0 113.116 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -59.19 -25.08 63.64 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 170.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.31 -22.98 47.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.196 0.998 . . . . 0.0 113.308 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -82.72 -36.43 25.83 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.796 0.839 . . . . 0.0 113.157 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -74.86 151.37 38.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.525 0.73 . . . . 0.0 112.85 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.74 -7.89 59.62 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.753 1.221 . . . . 0.0 113.347 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.72 142.53 54.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.287 1.035 . . . . 0.0 112.858 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.186 1.374 . . . . 0.0 113.026 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -134.03 151.74 51.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.262 1.425 . . . . 0.0 112.147 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -86.79 -7.36 58.32 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.22 -148.48 40.97 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.445 1.021 . . . . 0.0 113.632 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -146.17 150.28 35.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.094 1.358 . . . . 0.0 112.072 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m -85.03 -7.68 59.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.93 1.292 . . . . 0.0 113.447 173.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.76 43.94 1.71 Allowed Glycine 0 CA--C 1.539 1.554 0 C-N-CA 126.054 1.788 . . . . 0.0 114.879 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -91.75 161.02 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.317 1.847 . . . . 0.0 112.948 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -124.0 141.67 51.84 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.299 1.839 . . . . 0.0 109.22 173.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -74.46 135.34 42.29 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.801 -0.562 . . . . 0.0 110.208 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.61 134.7 37.66 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.237 1.015 . . . . 0.0 112.632 -169.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.42 117.36 18.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.261 1.424 . . . . 0.0 109.575 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.61 -0.11 32.35 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.6 mtm -104.32 -35.81 7.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.9 1.28 . . . . 0.0 113.972 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.13 -7.88 4.84 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.65 77.87 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.32 142.39 50.44 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.635 1.217 . . . . 0.0 112.564 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -108.28 144.8 35.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.832 1.653 . . . . 0.0 112.777 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -138.05 154.01 49.31 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.655 1.982 . . . . 0.0 112.3 -170.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -87.28 -9.93 53.68 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -151.12 151.98 32.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.013 1.325 . . . . 0.0 111.851 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.2 -34.76 77.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.514 1.125 . . . . 0.0 111.857 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.78 -38.01 93.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.861 0.743 . . . . 0.0 112.579 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -69.49 -44.05 71.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.809 0.844 . . . . 0.0 111.269 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.2 -42.75 99.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.429 0.692 . . . . 0.0 111.701 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -61.37 -46.36 90.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.855 0.862 . . . . 0.0 111.609 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.0 m -59.92 -24.94 64.75 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.09 0.956 . . . . 0.0 113.025 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -84.35 -43.91 14.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.544 1.138 . . . . 0.0 112.367 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -63.47 -27.19 69.11 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.825 -1.172 . . . . 0.0 113.77 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -57.88 -26.99 62.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 -17.66 58.68 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.445 1.098 . . . . 0.0 113.558 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -88.42 -1.57 58.12 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.73 1.212 . . . . 0.0 113.693 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -135.82 166.31 23.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.854 1.262 . . . . 0.0 112.946 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.48 159.11 44.58 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.885 1.674 . . . . 0.0 111.886 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -77.87 -15.13 59.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 C-N-CA 125.746 1.641 . . . . 0.0 113.656 -178.288 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 52.58 32.69 12.09 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.768 1.627 . . . . 0.0 115.194 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -135.43 155.0 51.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.572 1.549 . . . . 0.0 112.358 -172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.32 -176.27 52.07 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.529 1.061 . . . . 0.0 114.654 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -150.0 164.37 35.69 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.748 1.619 . . . . 0.0 112.161 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -102.5 136.64 41.96 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.429 1.091 . . . . 0.0 112.587 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.69 65.17 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.808 1.194 . . . . 0.0 114.067 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -123.43 -8.05 8.08 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -171.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -125.4 139.06 53.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.071 1.349 . . . . 0.0 110.156 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -86.2 138.85 31.56 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.63 0.772 . . . . 0.0 109.88 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.92 135.72 43.79 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.86 0.864 . . . . 0.0 113.264 -168.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.87 120.78 19.93 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.474 1.509 . . . . 0.0 109.679 168.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.36 -3.64 50.36 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 112.54 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -107.27 -37.17 6.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.922 1.289 . . . . 0.0 113.723 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.84 0.1 4.28 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.003 1.321 . . . . 0.0 114.45 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.98 9.14 85.7 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 116.702 1.441 . . . . 0.0 116.702 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -76.77 144.04 39.48 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.18 142.68 35.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.727 1.611 . . . . 0.0 112.649 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.26 154.66 50.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.485 1.914 . . . . 0.0 113.219 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -80.36 -16.08 55.38 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -152.46 153.2 33.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 111.663 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -60.81 -29.56 69.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.63 1.172 . . . . 0.0 112.443 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -45.08 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 123.546 0.594 . . . . 0.0 112.224 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -62.74 -43.73 98.05 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.067 0.947 . . . . 0.0 111.47 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.93 -40.19 95.89 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.498 0.719 . . . . 0.0 112.126 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -60.53 -47.1 87.67 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.983 1.265 . . . . 0.0 111.453 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -59.94 -22.81 62.94 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -85.76 -43.64 13.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 112.74 172.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.43 -32.2 71.14 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.908 -1.12 . . . . 0.0 112.869 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.23 -26.75 65.14 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.09 -18.97 60.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.245 1.018 . . . . 0.0 113.542 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -86.46 -0.65 56.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.545 1.138 . . . . 0.0 113.755 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.3 t -139.25 168.13 20.52 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.909 1.284 . . . . 0.0 112.801 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.23 151.55 34.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.803 1.641 . . . . 0.0 111.843 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -82.47 157.36 23.65 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.888 1.275 . . . . 0.0 113.245 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.983 1.278 . . . . 0.0 112.883 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 m -68.69 150.3 48.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.467 1.107 . . . . 0.0 113.139 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -74.35 157.47 35.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.923 0.889 . . . . 0.0 112.139 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.34 135.89 34.21 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.215 0.912 . . . . 0.0 113.409 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -153.48 152.87 31.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 111.214 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -151.63 138.27 18.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.793 1.237 . . . . 0.0 112.163 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.78 49.37 3.61 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.577 1.561 . . . . 0.0 112.281 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt 58.05 31.92 21.31 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.68 1.592 . . . . 0.0 112.311 -168.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -86.66 146.3 26.36 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.862 2.065 . . . . 0.0 110.547 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.52 144.8 31.06 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.594 -0.691 . . . . 0.0 110.499 173.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.4 tp -136.12 134.9 38.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.059 0.943 . . . . 0.0 112.745 -171.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -77.25 116.57 17.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.607 1.563 . . . . 0.0 110.038 169.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.98 -1.66 44.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.67 0.788 . . . . 0.0 113.118 171.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -94.02 -43.48 8.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.474 1.109 . . . . 0.0 112.774 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.5 -2.83 4.3 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.89 7.18 81.43 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -78.12 142.57 37.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.221 1.408 . . . . 0.0 112.517 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -102.54 142.7 33.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.094 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.28 151.54 50.67 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.769 2.027 . . . . 0.0 112.83 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -77.71 -23.46 49.44 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -145.16 153.78 41.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.095 1.358 . . . . 0.0 112.234 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -61.17 -34.94 75.84 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.618 1.167 . . . . 0.0 111.984 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.15 -35.42 90.45 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.782 0.706 . . . . 0.0 112.9 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -70.66 -45.13 65.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 111.108 174.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.12 -43.19 95.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.552 0.741 . . . . 0.0 111.701 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -58.88 -48.76 80.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.327 1.051 . . . . 0.0 111.362 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -63.17 -25.01 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.839 0.855 . . . . 0.0 112.796 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -80.14 -42.75 22.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.718 1.207 . . . . 0.0 112.213 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.14 -20.16 65.12 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.16 -22.84 43.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.341 1.057 . . . . 0.0 113.336 169.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.0 mt -78.51 -17.82 55.67 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.829 1.252 . . . . 0.0 113.431 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -102.25 -31.55 10.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.078 1.351 . . . . 0.0 113.247 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 p -69.22 141.13 54.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.728 0.811 . . . . 0.0 112.877 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.53 -18.3 41.97 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 53.62 34.38 18.55 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.129 1.772 . . . . 0.0 114.437 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.704 1.621 . . . . 0.0 113.048 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -62.79 -20.22 64.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -171.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -76.66 -9.47 58.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.951 1.3 . . . . 0.0 114.163 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.42 153.54 52.95 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.479 1.037 . . . . 0.0 114.235 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 p -87.93 -5.68 58.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.235 1.414 . . . . 0.0 114.591 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -60.1 137.18 58.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.022 1.329 . . . . 0.0 113.05 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.78 1.73 68.01 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.293 1.277 . . . . 0.0 116.293 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.59 150.25 41.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.231 1.516 . . . . 0.0 112.298 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 144.8 56.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.39 1.476 . . . . 0.0 111.889 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -81.04 146.35 30.68 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.738 0.815 . . . . 0.0 110.325 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -140.36 136.76 33.48 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.89 123.58 25.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.753 1.621 . . . . 0.0 109.906 168.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.46 -2.79 54.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.733 0.813 . . . . 0.0 112.772 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm -111.44 -33.95 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.057 1.343 . . . . 0.0 114.13 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -131.23 -0.04 4.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.64 8.01 87.96 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.335 1.294 . . . . 0.0 116.335 169.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -73.42 142.96 46.9 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.106 1.362 . . . . 0.0 112.004 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -107.18 143.24 35.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.529 1.531 . . . . 0.0 112.663 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -135.34 150.37 49.94 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.177 1.791 . . . . 0.0 112.913 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -82.28 -9.16 59.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 t -151.11 148.38 28.22 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.998 1.319 . . . . 0.0 111.983 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -61.19 -29.37 69.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.011 1.324 . . . . 0.0 112.77 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.25 -44.65 85.4 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 123.495 0.569 . . . . 0.0 112.173 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 m -64.08 -42.85 96.81 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.868 0.867 . . . . 0.0 111.409 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.46 -41.4 98.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.246 0.618 . . . . 0.0 112.054 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.54 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.878 1.217 . . . . 0.0 111.45 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.7 m -60.76 -23.3 64.86 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -84.62 -41.11 16.7 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.328 1.051 . . . . 0.0 112.76 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.32 -32.31 72.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.868 -1.145 . . . . 0.0 112.637 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.5 -28.88 65.8 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 171.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.6 mt -72.31 -20.25 61.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.81 0.844 . . . . 0.0 112.88 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -88.61 -31.45 18.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.134 0.974 . . . . 0.0 112.888 173.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.9 p -82.74 -28.88 30.14 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 152.14 41.83 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.205 1.002 . . . . 0.0 112.31 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.63 -24.85 45.07 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 C-N-CA 125.59 1.567 . . . . 0.0 113.152 -179.269 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -67.51 150.41 48.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.537 1.135 . . . . 0.0 113.164 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 m -66.58 145.19 55.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.393 1.077 . . . . 0.0 112.602 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.78 67.8 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.85 0.738 . . . . 0.0 114.399 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -63.23 -19.76 64.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 175.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -90.89 -3.91 56.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.146 1.378 . . . . 0.0 113.584 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.33 178.21 46.03 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.106 1.336 . . . . 0.0 114.464 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.58 21.56 7.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.859 2.064 . . . . 0.0 115.877 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -65.53 142.49 58.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.754 1.221 . . . . 0.0 111.262 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -82.95 143.83 30.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.464 0.706 . . . . 0.0 110.23 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -135.96 134.76 38.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.147 0.979 . . . . 0.0 112.308 -171.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.6 t -81.38 114.83 20.41 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.53 1.532 . . . . 0.0 110.427 170.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.13 -4.71 45.87 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.8 mmt -85.58 -42.61 14.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.502 1.121 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -129.34 -16.91 3.86 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.551 1.54 . . . . 0.0 114.275 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 4.34 65.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.44 1.019 . . . . 0.0 115.373 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.88 142.6 51.18 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.837 1.319 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -107.8 143.58 36.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.797 1.639 . . . . 0.0 112.589 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.56 152.8 51.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.254 1.821 . . . . 0.0 113.087 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -79.65 -18.32 51.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 113.931 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -146.09 149.11 33.43 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.127 1.371 . . . . 0.0 112.409 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.29 -29.64 68.96 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.857 1.263 . . . . 0.0 112.748 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.11 89.07 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 123.483 0.563 . . . . 0.0 111.955 173.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -64.21 -44.02 93.19 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.873 0.869 . . . . 0.0 111.346 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -60.59 -41.0 93.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.606 0.763 . . . . 0.0 111.963 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -63.14 -48.19 79.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.287 0.949 . . . . 0.0 111.689 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.3 m -60.44 -25.51 66.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.641 0.777 . . . . 0.0 113.026 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -79.74 -43.92 21.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.381 1.072 . . . . 0.0 112.007 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -63.62 -25.37 68.19 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.77 -26.48 57.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 169.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 mt -76.22 -22.0 55.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.488 1.115 . . . . 0.0 113.205 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.19 -44.64 11.32 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.213 1.005 . . . . 0.0 111.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -155.26 145.25 21.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 112.003 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.08 157.01 36.84 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.862 0.865 . . . . 0.0 113.144 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.87 145.11 34.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.221 1.408 . . . . 0.0 111.63 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.12 1.343 . . . . 0.0 112.836 -178.327 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -62.66 -20.17 64.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -171.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -71.8 -13.22 61.63 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.861 1.264 . . . . 0.0 114.039 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.98 49.05 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.987 1.28 . . . . 0.0 114.494 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -67.95 153.59 43.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.877 1.271 . . . . 0.0 112.73 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 m -67.11 -33.83 76.31 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.37 123.65 6.33 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.383 0.992 . . . . 0.0 111.546 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -130.08 31.08 4.72 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.377 1.471 . . . . 0.0 113.284 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -134.08 141.44 47.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.679 1.591 . . . . 0.0 109.945 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -89.85 140.64 29.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.911 0.884 . . . . 0.0 109.849 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.48 135.42 44.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.866 0.867 . . . . 0.0 113.339 -169.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.92 121.47 21.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.432 1.493 . . . . 0.0 109.919 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.91 -4.56 55.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.534 0.734 . . . . 0.0 112.532 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.7 mtt -105.5 -37.41 6.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.843 1.257 . . . . 0.0 113.639 -170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.99 0.05 4.2 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.01 1.324 . . . . 0.0 114.462 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 8.74 86.32 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.587 1.395 . . . . 0.0 116.587 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.62 143.79 39.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.228 1.411 . . . . 0.0 112.427 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -105.46 142.69 34.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.669 1.588 . . . . 0.0 112.739 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.18 154.4 50.96 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.598 1.959 . . . . 0.0 113.343 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -76.14 -21.27 56.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.1 t -151.89 154.03 35.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.25 1.42 . . . . 0.0 111.583 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -60.62 -29.81 69.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.572 1.149 . . . . 0.0 112.579 169.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.32 -41.2 86.43 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.542 0.61 . . . . 0.0 112.527 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 m -66.41 -43.73 84.94 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.082 0.953 . . . . 0.0 111.319 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.87 -42.03 97.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.297 0.639 . . . . 0.0 112.009 174.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.22 -45.28 93.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.664 1.12 . . . . 0.0 111.277 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.17 -23.34 63.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.202 1.001 . . . . 0.0 113.192 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -87.2 -42.04 13.28 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.847 1.259 . . . . 0.0 112.816 172.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -61.06 -31.65 71.3 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.843 -1.161 . . . . 0.0 112.942 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.04 -22.79 63.1 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.0 -15.0 58.14 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.371 1.068 . . . . 0.0 113.692 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -87.63 -7.31 57.62 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.0 p -70.78 151.41 44.86 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.958 -1.089 . . . . 0.0 112.643 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 155.52 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.971 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.66 159.44 42.82 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.642 1.577 . . . . 0.0 112.536 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 C-N-CA 125.285 1.421 . . . . 0.0 113.123 179.085 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -62.85 150.5 41.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.866 1.266 . . . . 0.0 112.705 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m 56.33 31.84 19.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.851 1.26 . . . . 0.0 112.762 -169.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.91 -127.53 0.94 Allowed Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.745 1.164 . . . . 0.0 113.21 -170.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -62.99 -15.11 55.17 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -120.13 22.54 11.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.932 1.293 . . . . 0.0 113.681 173.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.5 -158.52 51.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.671 1.129 . . . . 0.0 113.885 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -148.71 140.49 23.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.054 1.341 . . . . 0.0 111.686 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -81.64 143.26 32.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.71 1.204 . . . . 0.0 110.93 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -84.89 144.31 28.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.648 0.779 . . . . 0.0 110.235 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.37 136.45 34.77 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -169.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.45 123.27 25.14 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.5 1.52 . . . . 0.0 109.837 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -81.05 -5.05 57.16 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.578 0.751 . . . . 0.0 112.86 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -107.52 -34.35 7.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.975 1.31 . . . . 0.0 114.04 -169.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -130.19 -4.5 4.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 7.31 86.96 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.69 142.45 51.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.794 1.238 . . . . 0.0 112.146 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -106.97 144.66 33.29 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.609 1.564 . . . . 0.0 112.793 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -136.32 155.18 50.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.401 1.881 . . . . 0.0 112.7 -171.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -76.31 -23.88 54.33 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -149.57 152.17 35.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.855 1.262 . . . . 0.0 111.818 -169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.42 -33.39 74.69 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.01 -42.61 94.6 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.571 0.605 . . . . 0.0 112.631 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -64.11 -42.52 96.84 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.031 0.933 . . . . 0.0 111.404 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.85 -41.62 97.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.253 0.621 . . . . 0.0 112.116 172.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.64 -46.82 87.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.981 1.264 . . . . 0.0 111.586 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.7 m -60.07 -21.94 62.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -86.86 -42.91 12.86 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.249 1.02 . . . . 0.0 112.803 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -59.67 -33.31 71.4 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.986 -1.071 . . . . 0.0 112.765 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.11 -26.69 66.42 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 173.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.37 -17.72 61.25 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.016 0.926 . . . . 0.0 113.383 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -86.14 1.67 49.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.577 1.151 . . . . 0.0 113.85 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 t -135.37 151.21 50.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.892 1.277 . . . . 0.0 112.752 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -11.68 61.09 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.215 1.006 . . . . 0.0 113.076 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.68 -14.77 59.93 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.594 1.158 . . . . 0.0 113.659 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 C-N-CA 125.638 1.59 . . . . 0.0 113.95 178.231 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -77.18 160.91 28.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.805 1.242 . . . . 0.0 113.193 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -80.38 -14.35 58.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.818 1.247 . . . . 0.0 114.328 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.49 173.19 43.64 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.174 1.369 . . . . 0.0 113.322 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -67.89 146.62 53.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.574 1.15 . . . . 0.0 113.259 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -151.58 148.81 28.44 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.673 1.589 . . . . 0.0 110.469 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.53 148.33 7.24 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 123.88 0.752 . . . . 0.0 113.622 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.86 14.69 1.94 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 126.492 1.917 . . . . 0.0 114.787 -170.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.81 147.12 30.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.071 1.749 . . . . 0.0 111.735 -175.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -92.93 149.08 21.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.092 0.957 . . . . 0.0 110.178 171.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -138.74 136.71 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -74.77 121.34 21.61 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.512 1.525 . . . . 0.0 109.953 168.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.63 -5.31 54.8 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.488 0.715 . . . . 0.0 112.577 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.2 mtt -105.29 -37.51 6.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.812 1.245 . . . . 0.0 113.598 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -131.33 -0.03 4.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.027 1.331 . . . . 0.0 114.458 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.32 9.16 86.29 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 116.438 1.335 . . . . 0.0 116.438 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.0 141.66 42.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.117 1.367 . . . . 0.0 112.193 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -101.14 144.07 30.48 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 113.173 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -135.45 155.98 49.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.467 1.907 . . . . 0.0 113.189 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -76.1 -21.05 57.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -152.52 151.78 31.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.456 1.502 . . . . 0.0 111.452 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -59.82 -29.98 68.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.499 1.12 . . . . 0.0 112.663 169.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.93 -40.38 74.11 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 118.663 0.665 . . . . 0.0 112.677 173.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -66.26 -42.75 88.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.765 -0.844 . . . . 0.0 111.12 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.87 -40.58 97.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.775 0.83 . . . . 0.0 112.122 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.18 -48.52 80.06 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.515 1.052 . . . . 0.0 111.376 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -61.9 -18.88 61.79 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -88.31 -43.85 11.24 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.47 1.108 . . . . 0.0 112.596 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -59.6 -33.11 71.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 0.0 113.033 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.25 -25.56 65.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 mt -78.35 -16.21 57.92 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.559 1.143 . . . . 0.0 113.858 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -79.82 -5.4 55.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -146.9 155.84 42.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.314 0.961 . . . . 0.0 113.202 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.61 10.46 4.75 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.192 1.797 . . . . 0.0 112.35 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.09 150.06 21.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.131 1.372 . . . . 0.0 112.803 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 C-N-CA 125.186 1.374 . . . . 0.0 112.942 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 112.169 -0.372 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 m -67.75 152.37 45.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.664 1.186 . . . . 0.0 113.32 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -147.23 145.92 29.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.056 1.342 . . . . 0.0 111.938 177.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.73 -7.76 77.83 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.891 1.234 . . . . 0.0 114.893 175.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -70.08 147.74 49.63 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.646 1.223 . . . . 0.0 113.341 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -148.75 145.43 27.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.316 1.446 . . . . 0.0 111.69 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.89 -2.42 78.33 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.99 1.281 . . . . 0.0 114.869 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.8 137.29 41.81 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.775 1.288 . . . . 0.0 112.392 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.71 154.87 0.07 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.953 2.101 . . . . 0.0 114.219 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -82.42 136.85 34.86 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.916 -1.115 . . . . 0.0 109.049 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -132.54 135.09 45.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -75.58 117.21 17.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.488 1.515 . . . . 0.0 109.755 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.39 -1.81 42.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.641 0.776 . . . . 0.0 113.055 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.6 mtt -100.49 -38.4 8.41 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.852 1.261 . . . . 0.0 113.428 -174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.38 -1.95 3.92 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 8.74 81.07 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -80.33 139.48 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.205 1.402 . . . . 0.0 112.735 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -93.5 144.7 25.12 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.291 1.437 . . . . 0.0 113.829 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.53 150.14 49.66 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.76 2.024 . . . . 0.0 112.35 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -81.35 -8.03 59.67 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -151.17 149.77 29.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.142 1.377 . . . . 0.0 111.665 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.81 -29.77 69.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 112.567 169.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.19 89.31 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 123.624 0.63 . . . . 0.0 112.113 173.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 m -64.81 -42.84 94.68 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.83 0.852 . . . . 0.0 111.492 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.5 -40.83 96.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.502 0.721 . . . . 0.0 111.964 173.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -62.2 -47.78 82.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.204 0.911 . . . . 0.0 111.441 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -59.8 -24.26 63.98 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -81.8 -43.08 18.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.432 1.093 . . . . 0.0 112.111 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -64.81 -27.8 69.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.864 -1.148 . . . . 0.0 113.745 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.38 -20.76 63.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 mt -82.52 -20.42 36.74 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.519 1.128 . . . . 0.0 113.224 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -82.2 -32.74 29.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.713 0.805 . . . . 0.0 112.409 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -72.32 146.38 47.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.787 0.835 . . . . 0.0 112.252 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.16 162.12 39.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 112.384 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.5 -5.51 59.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.225 1.41 . . . . 0.0 114.537 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.875 1.702 . . . . 0.0 113.689 179.165 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -68.54 155.48 39.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.6 1.16 . . . . 0.0 113.304 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -79.92 0.17 32.47 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 164.32 45.66 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.7 1.143 . . . . 0.0 114.511 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -147.35 156.45 42.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.221 1.408 . . . . 0.0 112.089 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 p -74.55 -20.05 60.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.481 1.112 . . . . 0.0 112.764 169.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.55 127.96 9.43 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.332 0.968 . . . . 0.0 111.432 169.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -137.48 163.03 32.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.362 1.465 . . . . 0.0 112.794 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m -129.81 144.0 51.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.576 1.95 . . . . 0.0 109.604 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.82 134.07 43.31 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.639 -0.663 . . . . 0.0 110.352 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.9 tp -130.88 132.91 45.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.588 1.155 . . . . 0.0 111.686 -171.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.3 107.23 14.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.263 1.425 . . . . 0.0 110.19 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.71 -11.71 47.61 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.165 -0.959 . . . . 0.0 113.44 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -84.62 -38.47 19.83 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.753 1.621 . . . . 0.0 113.469 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -130.56 -19.5 3.02 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.706 1.603 . . . . 0.0 114.592 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.42 5.27 61.96 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.962 1.268 . . . . 0.0 115.189 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.5 143.95 46.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.787 1.293 . . . . 0.0 112.665 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -109.62 142.76 40.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.96 1.704 . . . . 0.0 112.66 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -138.15 153.95 49.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.233 1.813 . . . . 0.0 112.765 -170.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.7 -29.52 59.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.9 t -143.44 158.18 43.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.194 1.397 . . . . 0.0 112.127 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -61.84 -34.49 76.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.46 1.104 . . . . 0.0 112.05 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.3 -35.24 87.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.815 0.721 . . . . 0.0 112.924 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -67.64 -45.93 73.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.21 1.004 . . . . 0.0 111.084 173.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.21 -43.77 98.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.811 0.844 . . . . 0.0 111.56 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -59.22 -46.54 88.2 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.015 0.926 . . . . 0.0 111.629 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.9 m -61.95 -24.22 66.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.14 0.976 . . . . 0.0 112.973 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -82.7 -44.2 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.658 1.183 . . . . 0.0 112.065 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -61.99 -21.39 64.81 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.71 -26.98 47.92 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.129 0.972 . . . . 0.0 113.108 169.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.74 -23.01 58.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.514 1.126 . . . . 0.0 113.098 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -88.16 -40.17 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.293 1.037 . . . . 0.0 112.073 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.7 p -83.14 -23.57 32.92 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.33 26.52 7.01 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.936 1.694 . . . . 0.0 114.028 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -72.03 145.04 48.55 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.226 1.01 . . . . 0.0 112.889 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 C-N-CA 125.178 1.37 . . . . 0.0 112.978 -178.644 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -66.17 148.09 52.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.511 1.124 . . . . 0.0 113.013 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -150.44 164.73 35.17 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.168 1.387 . . . . 0.0 111.892 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.97 167.11 40.26 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.358 1.456 . . . . 0.0 112.945 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 57.2 -170.7 0.1 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.362 1.465 . . . . 0.0 113.588 -170.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -63.97 138.74 58.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.861 1.264 . . . . 0.0 112.448 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.13 -11.84 84.67 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.449 0.94 . . . . 0.0 115.449 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.31 157.55 15.98 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.646 1.578 . . . . 0.0 112.417 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 m -123.44 142.6 50.82 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.576 1.55 . . . . 0.0 110.039 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -82.76 139.31 33.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.668 0.787 . . . . 0.0 109.987 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -135.74 135.73 40.22 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.23 123.13 23.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.583 1.553 . . . . 0.0 109.763 168.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.27 -9.71 59.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.402 0.681 . . . . 0.0 112.453 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.66 -40.38 8.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.932 1.293 . . . . 0.0 113.47 -171.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -127.6 -4.04 5.96 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.22 7.67 84.77 Favored Glycine 0 CA--C 1.539 1.553 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 169.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.53 143.12 48.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.923 1.289 . . . . 0.0 112.377 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -107.04 144.49 33.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.658 1.583 . . . . 0.0 112.68 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.18 154.05 51.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.549 1.94 . . . . 0.0 113.02 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.19 -19.91 42.31 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.276 1.431 . . . . 0.0 114.126 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t -144.86 150.65 37.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.125 1.37 . . . . 0.0 112.332 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -61.37 -29.98 70.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.71 1.204 . . . . 0.0 112.898 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.12 76.42 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-N 119.052 0.842 . . . . 0.0 112.604 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 m -67.98 -43.62 78.55 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.903 0.881 . . . . 0.0 111.09 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.62 -42.07 99.37 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.223 0.609 . . . . 0.0 111.933 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -46.97 85.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.634 1.106 . . . . 0.0 111.301 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -60.1 -22.96 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.349 1.06 . . . . 0.0 113.09 176.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -89.67 -41.56 11.86 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.007 1.323 . . . . 0.0 112.981 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -62.42 -30.51 71.28 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.8 -1.187 . . . . 0.0 112.843 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -56.91 -27.62 61.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 113.478 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.2 mt -75.12 -17.84 60.35 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.287 1.035 . . . . 0.0 113.344 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.62 0.03 52.35 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.251 1.42 . . . . 0.0 113.874 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -141.58 175.47 9.66 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.551 1.141 . . . . 0.0 113.018 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.29 30.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.3 1.44 . . . . 0.0 113.151 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -77.52 -9.23 58.79 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 125.558 1.551 . . . . 0.0 112.972 179.441 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.5 0 N-CA-C 111.846 -0.502 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m 62.8 164.86 0.11 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.733 2.013 . . . . 0.0 115.453 -176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m 62.9 -36.2 0.14 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.763 2.825 . . . . 0.0 117.537 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.47 -27.11 0.87 Allowed Glycine 0 CA--C 1.54 1.623 0 C-N-CA 126.431 1.967 . . . . 0.0 116.02 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -63.03 -24.84 68.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.537 1.535 . . . . 0.0 114.087 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -63.24 -22.13 66.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.861 1.265 . . . . 0.0 113.528 172.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.88 -11.31 54.09 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.885 1.231 . . . . 0.0 114.716 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.28 -12.16 60.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.946 1.298 . . . . 0.0 113.522 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 m -115.42 141.23 48.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.676 1.591 . . . . 0.0 110.665 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -78.4 144.12 36.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.718 -0.614 . . . . 0.0 110.235 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 tp -140.61 135.12 31.42 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.42 122.38 22.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.456 1.503 . . . . 0.0 109.6 168.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.7 -2.83 48.39 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.461 -0.774 . . . . 0.0 112.728 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.0 mtm -111.42 -34.0 6.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.096 1.359 . . . . 0.0 114.078 -169.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.06 -0.33 4.15 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.79 90.65 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 116.441 1.336 . . . . 0.0 116.441 169.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -67.81 145.2 54.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.37 1.468 . . . . 0.0 111.869 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -114.32 141.52 47.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.532 1.533 . . . . 0.0 111.918 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -135.18 153.77 51.84 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.061 1.744 . . . . 0.0 113.049 -168.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -80.27 -24.78 39.83 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.145 . . . . 0.0 113.742 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 t -143.5 152.63 41.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 112.37 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -61.52 -33.18 73.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.416 1.086 . . . . 0.0 111.919 173.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 -36.39 93.03 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.87 0.748 . . . . 0.0 112.802 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 m -70.67 -46.09 63.86 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.201 1.001 . . . . 0.0 111.214 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.06 -42.39 99.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 111.988 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.3 -52.82 41.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.094 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -68.94 -19.62 64.19 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -81.05 -42.37 21.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.063 0.945 . . . . 0.0 112.266 169.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.62 -33.13 71.1 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.991 -1.068 . . . . 0.0 112.767 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -29.87 63.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.021 0.928 . . . . 0.0 113.479 172.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.2 -17.37 62.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.306 1.042 . . . . 0.0 113.404 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -91.37 -0.3 57.63 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.936 1.294 . . . . 0.0 113.643 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -142.66 -169.6 3.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.006 1.322 . . . . 0.0 112.122 -172.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.59 31.23 12.14 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.673 1.989 . . . . 0.0 114.902 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 54.98 28.25 10.38 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.179 1.791 . . . . 0.0 114.543 -175.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 C-N-CA 125.598 1.57 . . . . 0.0 114.216 177.274 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.42 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -148.76 161.02 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 112.992 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m 56.32 23.24 7.04 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.35 64.09 2.51 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.683 1.611 . . . . 0.0 113.464 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -65.9 147.35 53.5 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.955 1.302 . . . . 0.0 112.924 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -75.66 150.1 38.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.991 0.916 . . . . 0.0 112.55 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 177.76 40.8 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.311 1.434 . . . . 0.0 113.166 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.97 -30.27 55.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.062 0.945 . . . . 0.0 112.938 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 m -74.99 141.2 43.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.932 1.293 . . . . 0.0 110.405 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -80.52 142.86 33.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.223 0.609 . . . . 0.0 110.52 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -137.4 135.72 37.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 112.805 -170.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.37 116.42 17.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 109.861 168.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.14 14.06 4.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.159 1.383 . . . . 0.0 112.779 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 mtt -118.36 -37.22 3.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.688 1.195 . . . . 0.0 113.315 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.9 p -131.9 -0.47 3.81 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.37 7.29 82.85 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 169.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.05 143.83 37.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 112.712 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -106.44 143.32 34.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.511 1.524 . . . . 0.0 113.029 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -136.73 154.87 50.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.591 1.956 . . . . 0.0 113.037 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -82.65 -18.12 42.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -151.74 156.61 40.63 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.14 1.376 . . . . 0.0 111.84 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -61.95 -34.5 76.23 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.837 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.81 -37.97 93.91 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.771 0.701 . . . . 0.0 112.736 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 m -67.49 -45.7 75.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.081 0.952 . . . . 0.0 111.02 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.76 -40.74 98.22 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.453 0.701 . . . . 0.0 111.91 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.98 -46.22 90.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.349 0.977 . . . . 0.0 111.48 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -59.78 -25.44 64.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.131 0.972 . . . . 0.0 112.81 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -84.96 -43.4 14.05 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.506 1.123 . . . . 0.0 112.697 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -58.86 -34.47 71.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.594 1.158 . . . . 0.0 112.776 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.11 -29.05 60.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.36 -25.87 62.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.883 0.873 . . . . 0.0 112.582 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -85.92 -47.64 9.45 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.091 0.956 . . . . 0.0 111.725 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.1 p -76.57 -7.54 55.4 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -171.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -19.96 64.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -80.61 140.25 35.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.304 1.042 . . . . 0.0 112.359 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 C-N-CA 125.052 1.311 . . . . 0.0 113.088 -178.786 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -135.19 151.49 50.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.213 1.405 . . . . 0.0 112.069 -176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -76.9 -15.08 59.79 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.63 -164.45 54.05 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.22 0.914 . . . . 0.0 113.739 -174.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 p -76.38 152.32 36.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.592 1.157 . . . . 0.0 113.097 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -83.14 143.23 30.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.376 1.07 . . . . 0.0 112.933 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -177.95 34.17 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.736 1.16 . . . . 0.0 115.222 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -122.23 -14.65 7.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.413 1.485 . . . . 0.0 114.19 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -90.47 154.58 19.53 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.845 1.658 . . . . 0.0 112.799 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -92.46 99.3 12.06 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.1 tp -101.12 134.72 43.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.906 1.282 . . . . 0.0 113.599 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.5 121.84 21.22 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.771 1.628 . . . . 0.0 109.686 168.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -80.45 -4.92 55.6 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.604 -0.685 . . . . 0.0 112.771 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -104.99 -33.69 8.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.058 1.343 . . . . 0.0 114.026 -169.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.35 -7.43 3.77 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 3.02 82.54 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.979 1.152 . . . . 0.0 115.979 172.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.96 144.84 55.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.788 1.235 . . . . 0.0 112.041 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -117.58 138.1 52.16 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.969 1.707 . . . . 0.0 111.214 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -132.47 157.78 43.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.93 1.692 . . . . 0.0 112.018 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -91.41 -6.83 52.21 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -152.58 155.55 37.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.82 1.248 . . . . 0.0 111.942 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.81 -41.26 77.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.886 1.274 . . . . 0.0 111.585 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.12 -39.45 92.69 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.756 0.693 . . . . 0.0 112.915 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -65.11 -43.62 91.4 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 117.956 0.878 . . . . 0.0 111.3 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.68 -41.35 98.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.157 0.583 . . . . 0.0 111.922 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.74 -48.88 79.65 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.669 1.122 . . . . 0.0 111.531 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -60.85 -20.22 61.38 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -87.5 -43.72 11.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.314 1.046 . . . . 0.0 112.75 171.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.77 -34.36 72.89 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.915 -1.115 . . . . 0.0 112.492 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.06 -27.05 65.15 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.12 -26.55 61.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.048 0.939 . . . . 0.0 112.809 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -81.24 -45.88 15.62 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.531 0.732 . . . . 0.0 111.539 171.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -156.82 138.39 14.05 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.295 1.038 . . . . 0.0 112.442 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.86 0.83 57.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.568 1.147 . . . . 0.0 113.35 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -122.28 -31.57 3.8 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.972 1.309 . . . . 0.0 113.906 -173.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.063 1.316 . . . . 0.0 114.086 178.367 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -134.51 149.82 50.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.333 1.453 . . . . 0.0 112.133 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -80.21 -5.03 55.43 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.81 -169.99 36.02 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.423 1.487 . . . . 0.0 112.93 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -143.32 159.15 42.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 111.896 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 m -136.32 161.04 36.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.43 1.492 . . . . 0.0 112.978 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.98 73.48 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.277 0.942 . . . . 0.0 114.618 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -120.42 163.87 17.25 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.596 1.959 . . . . 0.0 112.337 -173.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.99 139.56 58.02 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.647 1.579 . . . . 0.0 113.261 -169.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -88.81 154.51 20.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.765 1.226 . . . . 0.0 110.267 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 tp -142.34 136.64 29.86 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -168.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.26 122.49 22.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.86 1.664 . . . . 0.0 109.689 168.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -81.14 -3.69 52.92 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.468 0.707 . . . . 0.0 112.728 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -108.19 -34.82 6.73 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.046 1.339 . . . . 0.0 113.886 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.4 -0.44 3.62 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.42 3.08 90.67 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 116.405 1.322 . . . . 0.0 116.405 169.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -69.14 147.18 51.77 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 111.823 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -115.79 141.15 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.438 1.495 . . . . 0.0 112.091 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.08 154.02 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.678 1.591 . . . . 0.0 113.571 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -73.31 -22.83 60.25 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -155.6 152.81 29.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.437 1.495 . . . . 0.0 111.206 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.247 1.019 . . . . 0.0 112.243 169.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.26 -27.04 73.91 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.165 0.888 . . . . 0.0 113.864 173.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -83.38 -43.93 15.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.354 1.062 . . . . 0.0 110.898 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.09 -41.26 87.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.141 0.976 . . . . 0.0 111.965 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -48.0 -51.86 22.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.685 1.194 . . . . 0.0 111.559 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.1 m -69.75 -20.81 63.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.243 1.017 . . . . 0.0 113.105 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -80.96 -41.23 23.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.951 0.9 . . . . 0.0 112.151 169.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.93 -33.94 72.55 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.018 -1.051 . . . . 0.0 112.659 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.01 -30.97 62.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 171.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.97 -21.11 62.36 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.756 0.822 . . . . 0.0 112.931 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -88.25 -36.89 16.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.107 0.963 . . . . 0.0 112.507 172.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.7 p -88.45 -28.02 21.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.22 139.29 38.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.22 0.918 . . . . 0.0 112.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -93.51 -23.48 18.33 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.415 1.086 . . . . 0.0 113.605 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.49 1.519 . . . . 0.0 112.876 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 m -67.35 150.41 49.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.582 1.153 . . . . 0.0 113.142 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -80.61 152.98 28.27 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.365 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.67 -179.41 37.56 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.961 1.267 . . . . 0.0 114.715 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -144.21 149.48 36.46 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.313 1.445 . . . . 0.0 111.96 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -73.02 153.97 40.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.378 1.071 . . . . 0.0 112.493 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.44 178.25 48.59 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.344 0.973 . . . . 0.0 113.525 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -83.01 37.92 0.56 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.778 1.631 . . . . 0.0 113.23 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 m -145.75 140.64 27.33 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.648 1.579 . . . . 0.0 110.119 -173.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -84.23 144.19 29.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.631 1.172 . . . . 0.0 110.422 174.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 tp -138.59 134.8 34.26 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -169.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -73.29 123.17 23.21 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.639 1.575 . . . . 0.0 109.664 168.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.62 -9.58 59.63 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.427 0.691 . . . . 0.0 112.491 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -100.1 -40.22 7.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 0.0 113.616 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.55 -1.66 6.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.51 8.88 85.57 Favored Glycine 0 CA--C 1.537 1.425 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 168.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.06 142.68 43.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.07 1.348 . . . . 0.0 112.319 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -105.05 143.47 33.19 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.478 1.511 . . . . 0.0 112.837 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -137.02 157.06 47.57 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.63 2.372 . . . . 0.0 110.992 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -106.66 8.44 31.11 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.1 t -149.07 145.64 27.35 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.375 1.47 . . . . 0.0 111.679 171.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -33.9 76.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.059 1.344 . . . . 0.0 111.519 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -38.01 91.14 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.517 0.579 . . . . 0.0 112.828 175.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 m -68.0 -43.7 78.28 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 117.733 0.766 . . . . 0.0 111.202 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.6 -41.58 97.65 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.054 0.541 . . . . 0.0 111.848 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -60.38 -48.07 83.32 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.248 0.931 . . . . 0.0 111.399 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -56.78 -28.71 61.74 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.248 1.019 . . . . 0.0 112.571 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -84.26 -41.46 16.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.62 1.168 . . . . 0.0 112.958 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -63.99 -29.94 71.06 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.699 -1.25 . . . . 0.0 113.156 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.66 -23.13 58.67 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.2 -19.09 57.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.292 1.037 . . . . 0.0 113.057 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -100.02 -35.06 9.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.136 1.374 . . . . 0.0 113.447 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -71.92 152.34 42.62 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.71 9.71 16.47 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.356 1.463 . . . . 0.0 114.014 -173.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.7 146.82 34.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.668 1.587 . . . . 0.0 111.7 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.186 0 C-N-CA 125.346 1.451 . . . . 0.0 113.049 -178.18 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -155.62 158.66 38.71 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.549 1.54 . . . . 0.0 111.183 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -78.94 53.13 1.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.4 1.48 . . . . 0.0 111.47 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.02 14.16 23.08 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.597 1.57 . . . . 0.0 114.325 -170.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m 52.11 24.37 2.7 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.374 1.87 . . . . 0.0 113.923 -168.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -101.92 -40.75 6.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.389 1.475 . . . . 0.0 112.03 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.91 153.47 40.08 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.944 0.783 . . . . 0.0 112.557 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -83.08 131.91 35.13 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.975 0.91 . . . . 0.0 111.029 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 m -147.69 145.3 28.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.494 1.518 . . . . 0.0 109.558 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -79.27 141.21 37.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.739 -0.601 . . . . 0.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -135.45 133.63 38.78 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.383 1.073 . . . . 0.0 111.791 -173.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -78.49 117.04 19.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.311 1.445 . . . . 0.0 110.242 169.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.54 -5.75 48.95 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.379 -0.826 . . . . 0.0 113.14 173.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.4 mtt -93.9 -37.64 11.61 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.737 1.215 . . . . 0.0 113.566 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.84 -13.28 4.68 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.43 1.492 . . . . 0.0 114.382 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.16 72.14 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.81 141.73 48.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.671 1.236 . . . . 0.0 112.754 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -102.95 144.51 31.14 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 112.987 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.59 156.68 48.23 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.76 2.024 . . . . 0.0 112.854 -172.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -74.03 -28.98 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -150.84 156.2 40.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.929 1.292 . . . . 0.0 112.294 -167.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.01 -36.33 79.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 111.914 176.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.97 94.54 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 123.691 0.663 . . . . 0.0 112.757 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 -46.22 70.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.009 0.923 . . . . 0.0 111.207 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.78 -42.36 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 111.716 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.24 -48.23 80.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 111.453 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 m -60.59 -26.42 66.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.997 0.919 . . . . 0.0 112.656 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -79.9 -45.61 18.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.487 1.115 . . . . 0.0 111.993 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.87 -24.27 67.73 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.06 -27.6 54.13 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 169.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.3 mt -77.74 -16.15 58.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.591 1.156 . . . . 0.0 113.626 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -88.99 -4.15 58.51 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.628 1.171 . . . . 0.0 113.718 176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -137.51 168.01 20.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.564 1.145 . . . . 0.0 113.313 -171.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.41 166.6 13.62 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.559 1.544 . . . . 0.0 112.94 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.48 -16.55 60.85 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 C-N-CA 125.606 1.574 . . . . 0.0 112.922 -179.625 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -147.41 175.52 10.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.33 1.452 . . . . 0.0 112.228 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -79.17 27.45 0.24 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.437 1.495 . . . . 0.0 113.783 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.2 38.71 9.8 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 120.889 -1.132 . . . . 0.0 113.444 -174.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -60.4 -22.83 63.82 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -70.05 -18.41 63.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.03 1.332 . . . . 0.0 113.917 174.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.94 122.46 0.63 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.528 1.061 . . . . 0.0 112.822 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -88.03 157.62 18.84 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.547 1.539 . . . . 0.0 112.114 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -133.84 143.15 48.15 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.218 1.407 . . . . 0.0 110.49 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -84.38 144.1 29.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.829 0.852 . . . . 0.0 110.682 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -138.44 134.49 34.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 113.009 -169.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.0 120.41 20.49 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.937 1.695 . . . . 0.0 109.849 168.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.56 -4.48 58.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -90.83 -43.66 9.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.322 1.049 . . . . 0.0 113.487 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -129.21 -2.01 5.08 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.82 8.71 83.95 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.527 1.371 . . . . 0.0 116.527 168.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -76.83 143.26 39.87 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.214 1.406 . . . . 0.0 112.314 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -106.29 143.44 34.41 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.482 1.513 . . . . 0.0 113.015 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -136.07 154.83 50.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.295 1.838 . . . . 0.0 113.374 -170.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.59 -22.03 54.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.805 1.642 . . . . 0.0 115.351 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -153.52 155.38 36.1 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.055 1.342 . . . . 0.0 111.663 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -61.98 -35.14 77.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.424 1.09 . . . . 0.0 111.979 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.4 92.69 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.811 0.719 . . . . 0.0 112.802 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -69.36 -43.56 73.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.853 0.861 . . . . 0.0 111.259 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.33 -42.34 99.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.461 0.704 . . . . 0.0 111.926 173.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -61.48 -44.32 97.29 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.575 1.15 . . . . 0.0 111.444 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 m -60.91 -26.02 67.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.862 0.865 . . . . 0.0 112.918 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -84.04 -42.58 16.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.591 1.156 . . . . 0.0 112.461 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -63.24 -30.29 71.46 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.834 -1.166 . . . . 0.0 113.471 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.74 -25.71 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.9 -30.06 61.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.215 1.006 . . . . 0.0 112.571 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.99 -50.1 11.66 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.772 0.829 . . . . 0.0 111.0 170.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 m -89.17 45.88 1.33 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.296 1.838 . . . . 0.0 111.282 -175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.26 -14.47 63.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.562 1.145 . . . . 0.0 113.808 -174.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.97 -10.99 59.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.239 1.815 . . . . 0.0 114.056 173.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.252 0 C-N-CA 125.699 1.618 . . . . 0.0 114.568 176.369 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.4 tp -90.87 132.1 36.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.155 1.382 . . . . 0.0 111.768 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.97 114.53 15.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.658 1.583 . . . . 0.0 110.079 170.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.44 -6.78 50.22 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.345 -0.847 . . . . 0.0 113.26 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.6 mtt -92.12 -37.65 12.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.882 1.273 . . . . 0.0 113.647 -175.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.54 -16.88 4.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.274 1.43 . . . . 0.0 114.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.29 3.98 68.97 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.284 0.945 . . . . 0.0 115.409 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -71.03 145.56 49.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.983 1.391 . . . . 0.0 112.134 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -113.05 136.29 52.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.962 1.705 . . . . 0.0 111.452 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.56 156.4 44.24 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.397 1.479 . . . . 0.0 112.29 -172.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.68 -6.0 57.75 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -152.34 150.06 29.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.384 1.474 . . . . 0.0 111.38 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.54 -29.94 70.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.6 1.16 . . . . 0.0 112.578 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.174 0 C-N-CA 123.554 0.597 . . . . 0.0 112.504 172.724 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -137.66 135.55 36.62 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.41 122.95 22.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.804 1.641 . . . . 0.0 109.863 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -82.42 -0.14 44.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.788 0.835 . . . . 0.0 113.219 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.2 mtm -112.81 -33.96 5.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.091 1.356 . . . . 0.0 114.002 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -132.62 -0.59 3.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.07 86.58 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -73.09 144.76 46.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.966 1.306 . . . . 0.0 112.03 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -110.09 143.1 40.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.754 1.622 . . . . 0.0 112.587 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.36 154.41 50.84 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.218 1.807 . . . . 0.0 112.961 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.23 -18.1 47.24 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.137 1.375 . . . . 0.0 114.022 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 t -145.84 148.78 33.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 0.0 112.315 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -60.73 -29.63 69.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.897 1.279 . . . . 0.0 112.871 170.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 CA-C-N 118.784 0.72 . . . . 0.0 112.341 174.204 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.61 134.7 37.66 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.237 1.015 . . . . 0.0 112.632 -169.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.42 117.36 18.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.261 1.424 . . . . 0.0 109.575 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.61 -0.11 32.35 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.6 mtm -104.32 -35.81 7.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.9 1.28 . . . . 0.0 113.972 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.13 -7.88 4.84 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.65 77.87 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.32 142.39 50.44 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.635 1.217 . . . . 0.0 112.564 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -108.28 144.8 35.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.832 1.653 . . . . 0.0 112.777 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -138.05 154.01 49.31 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.655 1.982 . . . . 0.0 112.3 -170.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -87.28 -9.93 53.68 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -151.12 151.98 32.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.013 1.325 . . . . 0.0 111.851 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.2 -34.76 77.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.514 1.125 . . . . 0.0 111.857 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 C-N-CA 123.861 0.743 . . . . 0.0 112.579 175.231 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.92 135.72 43.79 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.86 0.864 . . . . 0.0 113.264 -168.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.87 120.78 19.93 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.474 1.509 . . . . 0.0 109.679 168.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.36 -3.64 50.36 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 112.54 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -107.27 -37.17 6.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.922 1.289 . . . . 0.0 113.723 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.84 0.1 4.28 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.003 1.321 . . . . 0.0 114.45 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.98 9.14 85.7 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 116.702 1.441 . . . . 0.0 116.702 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -76.77 144.04 39.48 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.18 142.68 35.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.727 1.611 . . . . 0.0 112.649 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.26 154.66 50.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.485 1.914 . . . . 0.0 113.219 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -80.36 -16.08 55.38 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -152.46 153.2 33.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 111.663 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -60.81 -29.56 69.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.63 1.172 . . . . 0.0 112.443 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.208 0 C-N-CA 123.546 0.594 . . . . 0.0 112.224 172.291 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.4 tp -136.12 134.9 38.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.059 0.943 . . . . 0.0 112.745 -171.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -77.25 116.57 17.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.607 1.563 . . . . 0.0 110.038 169.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.98 -1.66 44.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.67 0.788 . . . . 0.0 113.118 171.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -94.02 -43.48 8.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.474 1.109 . . . . 0.0 112.774 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.5 -2.83 4.3 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.89 7.18 81.43 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -78.12 142.57 37.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.221 1.408 . . . . 0.0 112.517 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -102.54 142.7 33.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.094 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.28 151.54 50.67 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.769 2.027 . . . . 0.0 112.83 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -77.71 -23.46 49.44 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -145.16 153.78 41.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.095 1.358 . . . . 0.0 112.234 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -61.17 -34.94 75.84 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.618 1.167 . . . . 0.0 111.984 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.138 0 C-N-CA 123.782 0.706 . . . . 0.0 112.9 175.135 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -140.36 136.76 33.48 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.89 123.58 25.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.753 1.621 . . . . 0.0 109.906 168.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.46 -2.79 54.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.733 0.813 . . . . 0.0 112.772 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm -111.44 -33.95 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.057 1.343 . . . . 0.0 114.13 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -131.23 -0.04 4.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.64 8.01 87.96 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.335 1.294 . . . . 0.0 116.335 169.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -73.42 142.96 46.9 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.106 1.362 . . . . 0.0 112.004 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -107.18 143.24 35.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.529 1.531 . . . . 0.0 112.663 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -135.34 150.37 49.94 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.177 1.791 . . . . 0.0 112.913 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -82.28 -9.16 59.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 t -151.11 148.38 28.22 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.998 1.319 . . . . 0.0 111.983 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -61.19 -29.37 69.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.011 1.324 . . . . 0.0 112.77 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 123.495 0.569 . . . . 0.0 112.173 172.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -135.96 134.76 38.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.147 0.979 . . . . 0.0 112.308 -171.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.6 t -81.38 114.83 20.41 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.53 1.532 . . . . 0.0 110.427 170.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.13 -4.71 45.87 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.8 mmt -85.58 -42.61 14.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.502 1.121 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -129.34 -16.91 3.86 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.551 1.54 . . . . 0.0 114.275 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 4.34 65.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.44 1.019 . . . . 0.0 115.373 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.88 142.6 51.18 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.837 1.319 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -107.8 143.58 36.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.797 1.639 . . . . 0.0 112.589 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.56 152.8 51.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.254 1.821 . . . . 0.0 113.087 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -79.65 -18.32 51.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 113.931 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -146.09 149.11 33.43 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.127 1.371 . . . . 0.0 112.409 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.29 -29.64 68.96 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.857 1.263 . . . . 0.0 112.748 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.143 0 C-N-CA 123.483 0.563 . . . . 0.0 111.955 173.52 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.48 135.42 44.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.866 0.867 . . . . 0.0 113.339 -169.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.92 121.47 21.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.432 1.493 . . . . 0.0 109.919 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.91 -4.56 55.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.534 0.734 . . . . 0.0 112.532 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.7 mtt -105.5 -37.41 6.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.843 1.257 . . . . 0.0 113.639 -170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.99 0.05 4.2 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.01 1.324 . . . . 0.0 114.462 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 8.74 86.32 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.587 1.395 . . . . 0.0 116.587 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.62 143.79 39.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.228 1.411 . . . . 0.0 112.427 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -105.46 142.69 34.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.669 1.588 . . . . 0.0 112.739 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.18 154.4 50.96 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.598 1.959 . . . . 0.0 113.343 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -76.14 -21.27 56.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.1 t -151.89 154.03 35.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.25 1.42 . . . . 0.0 111.583 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -60.62 -29.81 69.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.572 1.149 . . . . 0.0 112.579 169.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 CA-C-N 118.542 0.61 . . . . 0.0 112.527 172.519 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.37 136.45 34.77 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -169.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.45 123.27 25.14 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.5 1.52 . . . . 0.0 109.837 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -81.05 -5.05 57.16 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.578 0.751 . . . . 0.0 112.86 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -107.52 -34.35 7.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.975 1.31 . . . . 0.0 114.04 -169.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -130.19 -4.5 4.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 7.31 86.96 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.69 142.45 51.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.794 1.238 . . . . 0.0 112.146 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -106.97 144.66 33.29 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.609 1.564 . . . . 0.0 112.793 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -136.32 155.18 50.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.401 1.881 . . . . 0.0 112.7 -171.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -76.31 -23.88 54.33 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -149.57 152.17 35.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.855 1.262 . . . . 0.0 111.818 -169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.42 -33.39 74.69 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 C-N-CA 123.571 0.605 . . . . 0.0 112.631 173.279 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -138.74 136.71 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -74.77 121.34 21.61 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.512 1.525 . . . . 0.0 109.953 168.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.63 -5.31 54.8 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.488 0.715 . . . . 0.0 112.577 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.2 mtt -105.29 -37.51 6.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.812 1.245 . . . . 0.0 113.598 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -131.33 -0.03 4.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.027 1.331 . . . . 0.0 114.458 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.32 9.16 86.29 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 116.438 1.335 . . . . 0.0 116.438 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.0 141.66 42.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.117 1.367 . . . . 0.0 112.193 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -101.14 144.07 30.48 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 113.173 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -135.45 155.98 49.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.467 1.907 . . . . 0.0 113.189 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -76.1 -21.05 57.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -152.52 151.78 31.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.456 1.502 . . . . 0.0 111.452 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -59.82 -29.98 68.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.499 1.12 . . . . 0.0 112.663 169.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-N 118.663 0.665 . . . . 0.0 112.677 173.416 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -132.54 135.09 45.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -75.58 117.21 17.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.488 1.515 . . . . 0.0 109.755 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.39 -1.81 42.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.641 0.776 . . . . 0.0 113.055 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.6 mtt -100.49 -38.4 8.41 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.852 1.261 . . . . 0.0 113.428 -174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.38 -1.95 3.92 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 8.74 81.07 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -80.33 139.48 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.205 1.402 . . . . 0.0 112.735 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -93.5 144.7 25.12 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.291 1.437 . . . . 0.0 113.829 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.53 150.14 49.66 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.76 2.024 . . . . 0.0 112.35 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -81.35 -8.03 59.67 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -151.17 149.77 29.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.142 1.377 . . . . 0.0 111.665 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.81 -29.77 69.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 112.567 169.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.144 0 C-N-CA 123.624 0.63 . . . . 0.0 112.113 173.187 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.9 tp -130.88 132.91 45.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.588 1.155 . . . . 0.0 111.686 -171.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.3 107.23 14.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.263 1.425 . . . . 0.0 110.19 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.71 -11.71 47.61 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.165 -0.959 . . . . 0.0 113.44 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -84.62 -38.47 19.83 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.753 1.621 . . . . 0.0 113.469 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -130.56 -19.5 3.02 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.706 1.603 . . . . 0.0 114.592 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.42 5.27 61.96 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.962 1.268 . . . . 0.0 115.189 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.5 143.95 46.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.787 1.293 . . . . 0.0 112.665 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -109.62 142.76 40.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.96 1.704 . . . . 0.0 112.66 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -138.15 153.95 49.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.233 1.813 . . . . 0.0 112.765 -170.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.7 -29.52 59.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.9 t -143.44 158.18 43.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.194 1.397 . . . . 0.0 112.127 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -61.84 -34.49 76.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.46 1.104 . . . . 0.0 112.05 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 C-N-CA 123.815 0.721 . . . . 0.0 112.924 173.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -135.74 135.73 40.22 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.23 123.13 23.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.583 1.553 . . . . 0.0 109.763 168.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.27 -9.71 59.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.402 0.681 . . . . 0.0 112.453 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.66 -40.38 8.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.932 1.293 . . . . 0.0 113.47 -171.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -127.6 -4.04 5.96 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.22 7.67 84.77 Favored Glycine 0 CA--C 1.539 1.553 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 169.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.53 143.12 48.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.923 1.289 . . . . 0.0 112.377 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -107.04 144.49 33.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.658 1.583 . . . . 0.0 112.68 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.18 154.05 51.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.549 1.94 . . . . 0.0 113.02 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.19 -19.91 42.31 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.276 1.431 . . . . 0.0 114.126 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t -144.86 150.65 37.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.125 1.37 . . . . 0.0 112.332 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -61.37 -29.98 70.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.71 1.204 . . . . 0.0 112.898 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-N 119.052 0.842 . . . . 0.0 112.604 173.767 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 tp -140.61 135.12 31.42 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.42 122.38 22.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.456 1.503 . . . . 0.0 109.6 168.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.7 -2.83 48.39 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.461 -0.774 . . . . 0.0 112.728 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.0 mtm -111.42 -34.0 6.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.096 1.359 . . . . 0.0 114.078 -169.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.06 -0.33 4.15 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.79 90.65 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 116.441 1.336 . . . . 0.0 116.441 169.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -67.81 145.2 54.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.37 1.468 . . . . 0.0 111.869 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -114.32 141.52 47.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.532 1.533 . . . . 0.0 111.918 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -135.18 153.77 51.84 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.061 1.744 . . . . 0.0 113.049 -168.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -80.27 -24.78 39.83 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.145 . . . . 0.0 113.742 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 t -143.5 152.63 41.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 112.37 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -61.52 -33.18 73.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.416 1.086 . . . . 0.0 111.919 173.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 C-N-CA 123.87 0.748 . . . . 0.0 112.802 175.183 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -137.4 135.72 37.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 112.805 -170.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.37 116.42 17.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 109.861 168.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.14 14.06 4.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.159 1.383 . . . . 0.0 112.779 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 mtt -118.36 -37.22 3.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.688 1.195 . . . . 0.0 113.315 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.9 p -131.9 -0.47 3.81 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.37 7.29 82.85 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 169.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.05 143.83 37.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 112.712 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -106.44 143.32 34.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.511 1.524 . . . . 0.0 113.029 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -136.73 154.87 50.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.591 1.956 . . . . 0.0 113.037 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -82.65 -18.12 42.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -151.74 156.61 40.63 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.14 1.376 . . . . 0.0 111.84 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -61.95 -34.5 76.23 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.837 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 C-N-CA 123.771 0.701 . . . . 0.0 112.736 174.253 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.1 tp -101.12 134.72 43.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.906 1.282 . . . . 0.0 113.599 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.5 121.84 21.22 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.771 1.628 . . . . 0.0 109.686 168.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -80.45 -4.92 55.6 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.604 -0.685 . . . . 0.0 112.771 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -104.99 -33.69 8.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.058 1.343 . . . . 0.0 114.026 -169.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.35 -7.43 3.77 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 3.02 82.54 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.979 1.152 . . . . 0.0 115.979 172.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.96 144.84 55.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.788 1.235 . . . . 0.0 112.041 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -117.58 138.1 52.16 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.969 1.707 . . . . 0.0 111.214 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -132.47 157.78 43.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.93 1.692 . . . . 0.0 112.018 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -91.41 -6.83 52.21 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -152.58 155.55 37.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.82 1.248 . . . . 0.0 111.942 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.81 -41.26 77.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.886 1.274 . . . . 0.0 111.585 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 C-N-CA 123.756 0.693 . . . . 0.0 112.915 178.679 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 tp -142.34 136.64 29.86 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -168.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.26 122.49 22.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.86 1.664 . . . . 0.0 109.689 168.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -81.14 -3.69 52.92 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.468 0.707 . . . . 0.0 112.728 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -108.19 -34.82 6.73 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.046 1.339 . . . . 0.0 113.886 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.4 -0.44 3.62 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.42 3.08 90.67 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 116.405 1.322 . . . . 0.0 116.405 169.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -69.14 147.18 51.77 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 111.823 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -115.79 141.15 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.438 1.495 . . . . 0.0 112.091 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.08 154.02 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.678 1.591 . . . . 0.0 113.571 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -73.31 -22.83 60.25 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -155.6 152.81 29.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.437 1.495 . . . . 0.0 111.206 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.247 1.019 . . . . 0.0 112.243 169.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 C-N-CA 124.165 0.888 . . . . 0.0 113.864 173.718 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 tp -138.59 134.8 34.26 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -169.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -73.29 123.17 23.21 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.639 1.575 . . . . 0.0 109.664 168.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.62 -9.58 59.63 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.427 0.691 . . . . 0.0 112.491 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -100.1 -40.22 7.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 0.0 113.616 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.55 -1.66 6.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.51 8.88 85.57 Favored Glycine 0 CA--C 1.537 1.425 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 168.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.06 142.68 43.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.07 1.348 . . . . 0.0 112.319 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -105.05 143.47 33.19 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.478 1.511 . . . . 0.0 112.837 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -137.02 157.06 47.57 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.63 2.372 . . . . 0.0 110.992 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -106.66 8.44 31.11 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.1 t -149.07 145.64 27.35 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.375 1.47 . . . . 0.0 111.679 171.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -33.9 76.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.059 1.344 . . . . 0.0 111.519 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 C-N-CA 123.517 0.579 . . . . 0.0 112.828 175.159 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -135.45 133.63 38.78 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.383 1.073 . . . . 0.0 111.791 -173.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -78.49 117.04 19.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.311 1.445 . . . . 0.0 110.242 169.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.54 -5.75 48.95 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.379 -0.826 . . . . 0.0 113.14 173.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.4 mtt -93.9 -37.64 11.61 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.737 1.215 . . . . 0.0 113.566 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.84 -13.28 4.68 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.43 1.492 . . . . 0.0 114.382 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.16 72.14 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.81 141.73 48.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.671 1.236 . . . . 0.0 112.754 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -102.95 144.51 31.14 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 112.987 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.59 156.68 48.23 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.76 2.024 . . . . 0.0 112.854 -172.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -74.03 -28.98 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -150.84 156.2 40.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.929 1.292 . . . . 0.0 112.294 -167.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.01 -36.33 79.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 111.914 176.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 123.691 0.663 . . . . 0.0 112.757 175.554 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 119.776 -0.154 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -138.44 134.49 34.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 113.009 -169.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.0 120.41 20.49 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.937 1.695 . . . . 0.0 109.849 168.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.56 -4.48 58.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -90.83 -43.66 9.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.322 1.049 . . . . 0.0 113.487 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -129.21 -2.01 5.08 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.82 8.71 83.95 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.527 1.371 . . . . 0.0 116.527 168.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -76.83 143.26 39.87 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.214 1.406 . . . . 0.0 112.314 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -106.29 143.44 34.41 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.482 1.513 . . . . 0.0 113.015 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -136.07 154.83 50.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.295 1.838 . . . . 0.0 113.374 -170.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.59 -22.03 54.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.805 1.642 . . . . 0.0 115.351 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -153.52 155.38 36.1 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.055 1.342 . . . . 0.0 111.663 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -61.98 -35.14 77.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.424 1.09 . . . . 0.0 111.979 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.168 0 C-N-CA 123.811 0.719 . . . . 0.0 112.802 174.39 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -63.14 -26.36 68.78 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -89.79 -9.42 49.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.015 1.326 . . . . 0.0 114.32 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.71 154.99 8.66 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.011 0.823 . . . . 0.0 114.531 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -85.66 168.03 14.78 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.789 1.636 . . . . 0.0 113.39 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -140.59 155.63 46.51 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.595 1.558 . . . . 0.0 111.072 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.59 -150.96 51.92 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 123.998 0.809 . . . . 0.0 112.963 -171.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -141.38 136.91 31.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 111.363 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.7 p -144.85 157.29 44.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.633 1.573 . . . . 0.0 111.568 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -91.34 92.63 8.68 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 167.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.4 tp -90.87 132.1 36.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.155 1.382 . . . . 0.0 111.768 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.97 114.53 15.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.658 1.583 . . . . 0.0 110.079 170.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.44 -6.78 50.22 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.345 -0.847 . . . . 0.0 113.26 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.6 mtt -92.12 -37.65 12.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.882 1.273 . . . . 0.0 113.647 -175.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.54 -16.88 4.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.274 1.43 . . . . 0.0 114.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.29 3.98 68.97 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.284 0.945 . . . . 0.0 115.409 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -71.03 145.56 49.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.983 1.391 . . . . 0.0 112.134 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -113.05 136.29 52.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.962 1.705 . . . . 0.0 111.452 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.56 156.4 44.24 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.397 1.479 . . . . 0.0 112.29 -172.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.68 -6.0 57.75 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -152.34 150.06 29.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.384 1.474 . . . . 0.0 111.38 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.54 -29.94 70.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.6 1.16 . . . . 0.0 112.578 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.03 91.82 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.554 0.597 . . . . 0.0 112.504 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.1 m -68.94 -44.0 73.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.908 0.883 . . . . 0.0 111.295 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.91 -43.03 99.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.481 0.712 . . . . 0.0 111.811 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -61.43 -47.24 86.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.563 -0.71 . . . . 0.0 111.543 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.9 m -60.95 -26.03 67.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.031 0.932 . . . . 0.0 112.838 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -80.62 -43.64 20.19 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.794 1.238 . . . . 0.0 112.015 173.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -62.75 -23.22 67.09 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.66 -25.76 60.67 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.016 0.927 . . . . 0.0 113.204 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.79 -22.04 50.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.542 1.137 . . . . 0.0 112.934 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -86.53 -40.95 14.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.067 0.947 . . . . 0.0 112.22 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 t -150.55 139.35 20.82 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 112.764 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.58 159.96 42.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.945 1.698 . . . . 0.0 111.071 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.57 143.55 46.4 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.825 0.85 . . . . 0.0 112.428 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 C-N-CA 125.058 1.313 . . . . 0.0 113.03 -178.809 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.519 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -148.61 150.77 33.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.172 1.389 . . . . 0.0 111.722 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -80.83 -12.55 59.41 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.938 1.295 . . . . 0.0 113.642 171.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.0 -135.33 52.08 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.536 1.065 . . . . 0.0 113.354 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -75.76 31.61 0.11 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.911 1.685 . . . . 0.0 114.474 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -60.37 147.59 40.15 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.921 -1.112 . . . . 0.0 111.687 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.15 -43.44 2.68 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.085 1.326 . . . . 0.0 113.356 -173.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -72.19 -33.61 67.79 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.163 0.985 . . . . 0.0 110.963 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 m -126.44 146.05 50.24 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.404 2.282 . . . . 0.0 108.953 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -83.9 141.85 30.98 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.517 -0.739 . . . . 0.0 110.261 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -137.66 135.55 36.62 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.41 122.95 22.92 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.804 1.641 . . . . 0.0 109.863 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -82.42 -0.14 44.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.788 0.835 . . . . 0.0 113.219 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.2 mtm -112.81 -33.96 5.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.091 1.356 . . . . 0.0 114.002 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -132.62 -0.59 3.52 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.13 9.07 86.58 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -73.09 144.76 46.9 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.966 1.306 . . . . 0.0 112.03 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -110.09 143.1 40.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.754 1.622 . . . . 0.0 112.587 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.36 154.41 50.84 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.218 1.807 . . . . 0.0 112.961 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -81.23 -18.1 47.24 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.137 1.375 . . . . 0.0 114.022 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 t -145.84 148.78 33.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 0.0 112.315 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -60.73 -29.63 69.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.897 1.279 . . . . 0.0 112.871 170.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.52 -42.06 74.23 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 118.784 0.72 . . . . 0.0 112.341 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m -64.57 -42.65 95.49 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.695 0.798 . . . . 0.0 111.205 174.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.3 -42.4 99.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.677 0.791 . . . . 0.0 112.11 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -58.09 -47.2 83.93 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.589 1.086 . . . . 0.0 111.333 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 m -61.04 -19.93 61.95 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -87.36 -42.06 13.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.601 1.161 . . . . 0.0 112.355 171.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -63.63 -30.58 71.67 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.896 -1.128 . . . . 0.0 113.116 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -59.19 -25.08 63.64 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 170.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.0 mt -78.31 -22.98 47.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.196 0.998 . . . . 0.0 113.308 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -82.72 -36.43 25.83 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.796 0.839 . . . . 0.0 113.157 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -74.86 151.37 38.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.525 0.73 . . . . 0.0 112.85 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.74 -7.89 59.62 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.753 1.221 . . . . 0.0 113.347 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.72 142.53 54.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.287 1.035 . . . . 0.0 112.858 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.186 1.374 . . . . 0.0 113.026 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -134.03 151.74 51.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.262 1.425 . . . . 0.0 112.147 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -86.79 -7.36 58.32 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.22 -148.48 40.97 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.445 1.021 . . . . 0.0 113.632 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -146.17 150.28 35.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.094 1.358 . . . . 0.0 112.072 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m -85.03 -7.68 59.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.93 1.292 . . . . 0.0 113.447 173.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.76 43.94 1.71 Allowed Glycine 0 CA--C 1.539 1.554 0 C-N-CA 126.054 1.788 . . . . 0.0 114.879 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -91.75 161.02 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.317 1.847 . . . . 0.0 112.948 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -124.0 141.67 51.84 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.299 1.839 . . . . 0.0 109.22 173.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -74.46 135.34 42.29 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.801 -0.562 . . . . 0.0 110.208 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.61 134.7 37.66 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.237 1.015 . . . . 0.0 112.632 -169.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.42 117.36 18.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.261 1.424 . . . . 0.0 109.575 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.61 -0.11 32.35 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.6 mtm -104.32 -35.81 7.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.9 1.28 . . . . 0.0 113.972 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.13 -7.88 4.84 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.65 77.87 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.32 142.39 50.44 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.635 1.217 . . . . 0.0 112.564 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -108.28 144.8 35.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.832 1.653 . . . . 0.0 112.777 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -138.05 154.01 49.31 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.655 1.982 . . . . 0.0 112.3 -170.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -87.28 -9.93 53.68 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -151.12 151.98 32.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.013 1.325 . . . . 0.0 111.851 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.2 -34.76 77.07 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.514 1.125 . . . . 0.0 111.857 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.78 -38.01 93.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.861 0.743 . . . . 0.0 112.579 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 m -69.49 -44.05 71.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.809 0.844 . . . . 0.0 111.269 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.2 -42.75 99.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.429 0.692 . . . . 0.0 111.701 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -61.37 -46.36 90.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.855 0.862 . . . . 0.0 111.609 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.0 m -59.92 -24.94 64.75 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.09 0.956 . . . . 0.0 113.025 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -84.35 -43.91 14.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.544 1.138 . . . . 0.0 112.367 172.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -63.47 -27.19 69.11 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.825 -1.172 . . . . 0.0 113.77 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -57.88 -26.99 62.86 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 -17.66 58.68 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.445 1.098 . . . . 0.0 113.558 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -88.42 -1.57 58.12 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.73 1.212 . . . . 0.0 113.693 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -135.82 166.31 23.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.854 1.262 . . . . 0.0 112.946 -174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.48 159.11 44.58 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.885 1.674 . . . . 0.0 111.886 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -77.87 -15.13 59.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 C-N-CA 125.746 1.641 . . . . 0.0 113.656 -178.288 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 52.58 32.69 12.09 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.768 1.627 . . . . 0.0 115.194 174.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -135.43 155.0 51.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.572 1.549 . . . . 0.0 112.358 -172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.32 -176.27 52.07 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.529 1.061 . . . . 0.0 114.654 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -150.0 164.37 35.69 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.748 1.619 . . . . 0.0 112.161 -178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -102.5 136.64 41.96 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.429 1.091 . . . . 0.0 112.587 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.69 65.17 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.808 1.194 . . . . 0.0 114.067 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -123.43 -8.05 8.08 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -171.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -125.4 139.06 53.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.071 1.349 . . . . 0.0 110.156 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -86.2 138.85 31.56 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.63 0.772 . . . . 0.0 109.88 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.92 135.72 43.79 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.86 0.864 . . . . 0.0 113.264 -168.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -73.87 120.78 19.93 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.474 1.509 . . . . 0.0 109.679 168.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -80.36 -3.64 50.36 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 112.54 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -107.27 -37.17 6.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.922 1.289 . . . . 0.0 113.723 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.84 0.1 4.28 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.003 1.321 . . . . 0.0 114.45 174.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.98 9.14 85.7 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 116.702 1.441 . . . . 0.0 116.702 169.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -76.77 144.04 39.48 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.18 142.68 35.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.727 1.611 . . . . 0.0 112.649 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.26 154.66 50.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.485 1.914 . . . . 0.0 113.219 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -80.36 -16.08 55.38 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -152.46 153.2 33.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 111.663 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -60.81 -29.56 69.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.63 1.172 . . . . 0.0 112.443 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -45.08 86.57 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 123.546 0.594 . . . . 0.0 112.224 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -62.74 -43.73 98.05 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.067 0.947 . . . . 0.0 111.47 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.93 -40.19 95.89 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.498 0.719 . . . . 0.0 112.126 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -60.53 -47.1 87.67 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.983 1.265 . . . . 0.0 111.453 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -59.94 -22.81 62.94 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -85.76 -43.64 13.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 112.74 172.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.43 -32.2 71.14 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.908 -1.12 . . . . 0.0 112.869 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.23 -26.75 65.14 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.09 -18.97 60.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.245 1.018 . . . . 0.0 113.542 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -86.46 -0.65 56.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.545 1.138 . . . . 0.0 113.755 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.3 t -139.25 168.13 20.52 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.909 1.284 . . . . 0.0 112.801 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.23 151.55 34.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.803 1.641 . . . . 0.0 111.843 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -82.47 157.36 23.65 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.888 1.275 . . . . 0.0 113.245 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.983 1.278 . . . . 0.0 112.883 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 m -68.69 150.3 48.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.467 1.107 . . . . 0.0 113.139 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -74.35 157.47 35.67 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.923 0.889 . . . . 0.0 112.139 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.34 135.89 34.21 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.215 0.912 . . . . 0.0 113.409 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -153.48 152.87 31.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 111.214 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -151.63 138.27 18.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.793 1.237 . . . . 0.0 112.163 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.78 49.37 3.61 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.577 1.561 . . . . 0.0 112.281 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt 58.05 31.92 21.31 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.68 1.592 . . . . 0.0 112.311 -168.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -86.66 146.3 26.36 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.862 2.065 . . . . 0.0 110.547 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.52 144.8 31.06 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.594 -0.691 . . . . 0.0 110.499 173.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.4 tp -136.12 134.9 38.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.059 0.943 . . . . 0.0 112.745 -171.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.0 t -77.25 116.57 17.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.607 1.563 . . . . 0.0 110.038 169.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.98 -1.66 44.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.67 0.788 . . . . 0.0 113.118 171.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -94.02 -43.48 8.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.474 1.109 . . . . 0.0 112.774 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.5 -2.83 4.3 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.89 7.18 81.43 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -78.12 142.57 37.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.221 1.408 . . . . 0.0 112.517 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -102.54 142.7 33.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.094 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.28 151.54 50.67 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.769 2.027 . . . . 0.0 112.83 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -77.71 -23.46 49.44 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -145.16 153.78 41.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.095 1.358 . . . . 0.0 112.234 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -61.17 -34.94 75.84 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.618 1.167 . . . . 0.0 111.984 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.15 -35.42 90.45 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.782 0.706 . . . . 0.0 112.9 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -70.66 -45.13 65.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 111.108 174.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -60.12 -43.19 95.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.552 0.741 . . . . 0.0 111.701 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -58.88 -48.76 80.27 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.327 1.051 . . . . 0.0 111.362 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -63.17 -25.01 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.839 0.855 . . . . 0.0 112.796 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -80.14 -42.75 22.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.718 1.207 . . . . 0.0 112.213 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.14 -20.16 65.12 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.16 -22.84 43.19 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.341 1.057 . . . . 0.0 113.336 169.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.0 mt -78.51 -17.82 55.67 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.829 1.252 . . . . 0.0 113.431 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -102.25 -31.55 10.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.078 1.351 . . . . 0.0 113.247 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 p -69.22 141.13 54.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.728 0.811 . . . . 0.0 112.877 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.53 -18.3 41.97 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 53.62 34.38 18.55 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.129 1.772 . . . . 0.0 114.437 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.704 1.621 . . . . 0.0 113.048 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -62.79 -20.22 64.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -171.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -76.66 -9.47 58.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.951 1.3 . . . . 0.0 114.163 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.42 153.54 52.95 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.479 1.037 . . . . 0.0 114.235 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 p -87.93 -5.68 58.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.235 1.414 . . . . 0.0 114.591 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -60.1 137.18 58.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.022 1.329 . . . . 0.0 113.05 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.78 1.73 68.01 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.293 1.277 . . . . 0.0 116.293 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.59 150.25 41.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.231 1.516 . . . . 0.0 112.298 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 144.8 56.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.39 1.476 . . . . 0.0 111.889 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -81.04 146.35 30.68 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.738 0.815 . . . . 0.0 110.325 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp -140.36 136.76 33.48 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.89 123.58 25.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.753 1.621 . . . . 0.0 109.906 168.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -82.46 -2.79 54.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.733 0.813 . . . . 0.0 112.772 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm -111.44 -33.95 6.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.057 1.343 . . . . 0.0 114.13 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 p -131.23 -0.04 4.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.64 8.01 87.96 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.335 1.294 . . . . 0.0 116.335 169.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -73.42 142.96 46.9 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.106 1.362 . . . . 0.0 112.004 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -107.18 143.24 35.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.529 1.531 . . . . 0.0 112.663 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -135.34 150.37 49.94 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.177 1.791 . . . . 0.0 112.913 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -82.28 -9.16 59.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 t -151.11 148.38 28.22 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.998 1.319 . . . . 0.0 111.983 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -61.19 -29.37 69.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.011 1.324 . . . . 0.0 112.77 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.25 -44.65 85.4 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 123.495 0.569 . . . . 0.0 112.173 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 m -64.08 -42.85 96.81 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.868 0.867 . . . . 0.0 111.409 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.46 -41.4 98.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.246 0.618 . . . . 0.0 112.054 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.54 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.878 1.217 . . . . 0.0 111.45 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.7 m -60.76 -23.3 64.86 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -84.62 -41.11 16.7 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.328 1.051 . . . . 0.0 112.76 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.32 -32.31 72.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.868 -1.145 . . . . 0.0 112.637 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.5 -28.88 65.8 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 171.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.6 mt -72.31 -20.25 61.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.81 0.844 . . . . 0.0 112.88 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -88.61 -31.45 18.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.134 0.974 . . . . 0.0 112.888 173.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.9 p -82.74 -28.88 30.14 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 152.14 41.83 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.205 1.002 . . . . 0.0 112.31 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.63 -24.85 45.07 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 C-N-CA 125.59 1.567 . . . . 0.0 113.152 -179.269 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -67.51 150.41 48.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.537 1.135 . . . . 0.0 113.164 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 m -66.58 145.19 55.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.393 1.077 . . . . 0.0 112.602 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.78 67.8 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.85 0.738 . . . . 0.0 114.399 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -63.23 -19.76 64.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.061 1.344 . . . . 0.0 113.892 175.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -90.89 -3.91 56.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.146 1.378 . . . . 0.0 113.584 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.33 178.21 46.03 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.106 1.336 . . . . 0.0 114.464 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 57.58 21.56 7.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.859 2.064 . . . . 0.0 115.877 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -65.53 142.49 58.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.754 1.221 . . . . 0.0 111.262 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -82.95 143.83 30.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.464 0.706 . . . . 0.0 110.23 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -135.96 134.76 38.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.147 0.979 . . . . 0.0 112.308 -171.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.6 t -81.38 114.83 20.41 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.53 1.532 . . . . 0.0 110.427 170.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -77.13 -4.71 45.87 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.8 mmt -85.58 -42.61 14.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.502 1.121 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -129.34 -16.91 3.86 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.551 1.54 . . . . 0.0 114.275 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 4.34 65.4 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.44 1.019 . . . . 0.0 115.373 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.88 142.6 51.18 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.837 1.319 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -107.8 143.58 36.17 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.797 1.639 . . . . 0.0 112.589 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.56 152.8 51.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.254 1.821 . . . . 0.0 113.087 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -79.65 -18.32 51.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 113.931 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.8 t -146.09 149.11 33.43 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.127 1.371 . . . . 0.0 112.409 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.29 -29.64 68.96 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.857 1.263 . . . . 0.0 112.748 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.11 89.07 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 123.483 0.563 . . . . 0.0 111.955 173.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -64.21 -44.02 93.19 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.873 0.869 . . . . 0.0 111.346 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -60.59 -41.0 93.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.606 0.763 . . . . 0.0 111.963 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -63.14 -48.19 79.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.287 0.949 . . . . 0.0 111.689 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.3 m -60.44 -25.51 66.04 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.641 0.777 . . . . 0.0 113.026 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -79.74 -43.92 21.7 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.381 1.072 . . . . 0.0 112.007 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -63.62 -25.37 68.19 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.77 -26.48 57.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 169.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 mt -76.22 -22.0 55.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.488 1.115 . . . . 0.0 113.205 175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.19 -44.64 11.32 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.213 1.005 . . . . 0.0 111.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -155.26 145.25 21.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.447 1.099 . . . . 0.0 112.003 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.08 157.01 36.84 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.862 0.865 . . . . 0.0 113.144 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.87 145.11 34.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.221 1.408 . . . . 0.0 111.63 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.12 1.343 . . . . 0.0 112.836 -178.327 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -62.66 -20.17 64.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -171.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -71.8 -13.22 61.63 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.861 1.264 . . . . 0.0 114.039 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.98 49.05 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.987 1.28 . . . . 0.0 114.494 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -67.95 153.59 43.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.877 1.271 . . . . 0.0 112.73 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 m -67.11 -33.83 76.31 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.37 123.65 6.33 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.383 0.992 . . . . 0.0 111.546 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -130.08 31.08 4.72 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.377 1.471 . . . . 0.0 113.284 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -134.08 141.44 47.16 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.679 1.591 . . . . 0.0 109.945 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -89.85 140.64 29.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.911 0.884 . . . . 0.0 109.849 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.48 135.42 44.48 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.866 0.867 . . . . 0.0 113.339 -169.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.92 121.47 21.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.432 1.493 . . . . 0.0 109.919 168.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.91 -4.56 55.31 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.534 0.734 . . . . 0.0 112.532 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 55.7 mtt -105.5 -37.41 6.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.843 1.257 . . . . 0.0 113.639 -170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -130.99 0.05 4.2 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.01 1.324 . . . . 0.0 114.462 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 8.74 86.32 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.587 1.395 . . . . 0.0 116.587 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.62 143.79 39.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.228 1.411 . . . . 0.0 112.427 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -105.46 142.69 34.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.669 1.588 . . . . 0.0 112.739 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.18 154.4 50.96 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.598 1.959 . . . . 0.0 113.343 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -76.14 -21.27 56.77 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.1 t -151.89 154.03 35.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.25 1.42 . . . . 0.0 111.583 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -60.62 -29.81 69.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.572 1.149 . . . . 0.0 112.579 169.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.32 -41.2 86.43 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 118.542 0.61 . . . . 0.0 112.527 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 m -66.41 -43.73 84.94 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.082 0.953 . . . . 0.0 111.319 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.87 -42.03 97.62 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.297 0.639 . . . . 0.0 112.009 174.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.22 -45.28 93.75 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.664 1.12 . . . . 0.0 111.277 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.17 -23.34 63.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.202 1.001 . . . . 0.0 113.192 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -87.2 -42.04 13.28 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.847 1.259 . . . . 0.0 112.816 172.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -61.06 -31.65 71.3 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.843 -1.161 . . . . 0.0 112.942 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.04 -22.79 63.1 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.0 -15.0 58.14 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.371 1.068 . . . . 0.0 113.692 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -87.63 -7.31 57.62 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.0 p -70.78 151.41 44.86 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.958 -1.089 . . . . 0.0 112.643 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 155.52 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.971 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -144.66 159.44 42.82 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.642 1.577 . . . . 0.0 112.536 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 C-N-CA 125.285 1.421 . . . . 0.0 113.123 179.085 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -62.85 150.5 41.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.866 1.266 . . . . 0.0 112.705 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m 56.33 31.84 19.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.851 1.26 . . . . 0.0 112.762 -169.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.91 -127.53 0.94 Allowed Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.745 1.164 . . . . 0.0 113.21 -170.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -62.99 -15.11 55.17 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -120.13 22.54 11.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.932 1.293 . . . . 0.0 113.681 173.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.5 -158.52 51.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.671 1.129 . . . . 0.0 113.885 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -148.71 140.49 23.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.054 1.341 . . . . 0.0 111.686 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -81.64 143.26 32.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.71 1.204 . . . . 0.0 110.93 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -84.89 144.31 28.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.648 0.779 . . . . 0.0 110.235 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.37 136.45 34.77 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -169.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.45 123.27 25.14 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.5 1.52 . . . . 0.0 109.837 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -81.05 -5.05 57.16 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.578 0.751 . . . . 0.0 112.86 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -107.52 -34.35 7.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.975 1.31 . . . . 0.0 114.04 -169.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -130.19 -4.5 4.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 7.31 86.96 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.69 142.45 51.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.794 1.238 . . . . 0.0 112.146 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -106.97 144.66 33.29 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.609 1.564 . . . . 0.0 112.793 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -136.32 155.18 50.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.401 1.881 . . . . 0.0 112.7 -171.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -76.31 -23.88 54.33 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -149.57 152.17 35.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.855 1.262 . . . . 0.0 111.818 -169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.42 -33.39 74.69 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.01 -42.61 94.6 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.571 0.605 . . . . 0.0 112.631 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -64.11 -42.52 96.84 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.031 0.933 . . . . 0.0 111.404 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.85 -41.62 97.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.253 0.621 . . . . 0.0 112.116 172.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.64 -46.82 87.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.981 1.264 . . . . 0.0 111.586 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.7 m -60.07 -21.94 62.1 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -86.86 -42.91 12.86 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.249 1.02 . . . . 0.0 112.803 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -59.67 -33.31 71.4 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.986 -1.071 . . . . 0.0 112.765 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.11 -26.69 66.42 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 173.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.37 -17.72 61.25 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.016 0.926 . . . . 0.0 113.383 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -86.14 1.67 49.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.577 1.151 . . . . 0.0 113.85 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 t -135.37 151.21 50.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.892 1.277 . . . . 0.0 112.752 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -11.68 61.09 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.215 1.006 . . . . 0.0 113.076 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.68 -14.77 59.93 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.594 1.158 . . . . 0.0 113.659 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 C-N-CA 125.638 1.59 . . . . 0.0 113.95 178.231 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -77.18 160.91 28.61 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.805 1.242 . . . . 0.0 113.193 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -80.38 -14.35 58.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.818 1.247 . . . . 0.0 114.328 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.49 173.19 43.64 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.174 1.369 . . . . 0.0 113.322 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -67.89 146.62 53.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.574 1.15 . . . . 0.0 113.259 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -151.58 148.81 28.44 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.673 1.589 . . . . 0.0 110.469 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.53 148.33 7.24 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 123.88 0.752 . . . . 0.0 113.622 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.86 14.69 1.94 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 126.492 1.917 . . . . 0.0 114.787 -170.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.81 147.12 30.6 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.071 1.749 . . . . 0.0 111.735 -175.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -92.93 149.08 21.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.092 0.957 . . . . 0.0 110.178 171.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -138.74 136.71 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -74.77 121.34 21.61 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.512 1.525 . . . . 0.0 109.953 168.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.63 -5.31 54.8 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.488 0.715 . . . . 0.0 112.577 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.2 mtt -105.29 -37.51 6.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.812 1.245 . . . . 0.0 113.598 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -131.33 -0.03 4.06 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.027 1.331 . . . . 0.0 114.458 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.32 9.16 86.29 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 116.438 1.335 . . . . 0.0 116.438 169.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -76.0 141.66 42.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.117 1.367 . . . . 0.0 112.193 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -101.14 144.07 30.48 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 113.173 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -135.45 155.98 49.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.467 1.907 . . . . 0.0 113.189 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -76.1 -21.05 57.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -152.52 151.78 31.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.456 1.502 . . . . 0.0 111.452 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -59.82 -29.98 68.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.499 1.12 . . . . 0.0 112.663 169.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.93 -40.38 74.11 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 118.663 0.665 . . . . 0.0 112.677 173.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -66.26 -42.75 88.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.765 -0.844 . . . . 0.0 111.12 174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.87 -40.58 97.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.775 0.83 . . . . 0.0 112.122 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.18 -48.52 80.06 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.515 1.052 . . . . 0.0 111.376 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -61.9 -18.88 61.79 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -88.31 -43.85 11.24 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.47 1.108 . . . . 0.0 112.596 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -59.6 -33.11 71.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.513 1.125 . . . . 0.0 113.033 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.25 -25.56 65.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 mt -78.35 -16.21 57.92 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.559 1.143 . . . . 0.0 113.858 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -79.82 -5.4 55.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -146.9 155.84 42.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.314 0.961 . . . . 0.0 113.202 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.61 10.46 4.75 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.192 1.797 . . . . 0.0 112.35 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -92.09 150.06 21.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.131 1.372 . . . . 0.0 112.803 -175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 C-N-CA 125.186 1.374 . . . . 0.0 112.942 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 112.169 -0.372 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 m -67.75 152.37 45.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.664 1.186 . . . . 0.0 113.32 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -147.23 145.92 29.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.056 1.342 . . . . 0.0 111.938 177.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.73 -7.76 77.83 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.891 1.234 . . . . 0.0 114.893 175.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -70.08 147.74 49.63 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.646 1.223 . . . . 0.0 113.341 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -148.75 145.43 27.61 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.316 1.446 . . . . 0.0 111.69 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.89 -2.42 78.33 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.99 1.281 . . . . 0.0 114.869 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.8 137.29 41.81 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.775 1.288 . . . . 0.0 112.392 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.71 154.87 0.07 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.953 2.101 . . . . 0.0 114.219 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -82.42 136.85 34.86 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.916 -1.115 . . . . 0.0 109.049 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 tp -132.54 135.09 45.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -75.58 117.21 17.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.488 1.515 . . . . 0.0 109.755 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.39 -1.81 42.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.641 0.776 . . . . 0.0 113.055 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.6 mtt -100.49 -38.4 8.41 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.852 1.261 . . . . 0.0 113.428 -174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.38 -1.95 3.92 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 175.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 8.74 81.07 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.201 1.24 . . . . 0.0 116.201 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -80.33 139.48 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.205 1.402 . . . . 0.0 112.735 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -93.5 144.7 25.12 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.291 1.437 . . . . 0.0 113.829 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.53 150.14 49.66 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.76 2.024 . . . . 0.0 112.35 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -81.35 -8.03 59.67 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -151.17 149.77 29.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.142 1.377 . . . . 0.0 111.665 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.81 -29.77 69.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 112.567 169.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.19 89.31 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 123.624 0.63 . . . . 0.0 112.113 173.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 m -64.81 -42.84 94.68 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.83 0.852 . . . . 0.0 111.492 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.5 -40.83 96.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.502 0.721 . . . . 0.0 111.964 173.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -62.2 -47.78 82.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.204 0.911 . . . . 0.0 111.441 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 m -59.8 -24.26 63.98 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -81.8 -43.08 18.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.432 1.093 . . . . 0.0 112.111 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -64.81 -27.8 69.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.864 -1.148 . . . . 0.0 113.745 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.38 -20.76 63.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 mt -82.52 -20.42 36.74 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.519 1.128 . . . . 0.0 113.224 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -82.2 -32.74 29.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.713 0.805 . . . . 0.0 112.409 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -72.32 146.38 47.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.787 0.835 . . . . 0.0 112.252 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.16 162.12 39.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 112.384 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.5 -5.51 59.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.225 1.41 . . . . 0.0 114.537 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.875 1.702 . . . . 0.0 113.689 179.165 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -68.54 155.48 39.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.6 1.16 . . . . 0.0 113.304 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -79.92 0.17 32.47 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 164.32 45.66 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.7 1.143 . . . . 0.0 114.511 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -147.35 156.45 42.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.221 1.408 . . . . 0.0 112.089 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 p -74.55 -20.05 60.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.481 1.112 . . . . 0.0 112.764 169.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.55 127.96 9.43 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.332 0.968 . . . . 0.0 111.432 169.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -137.48 163.03 32.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.362 1.465 . . . . 0.0 112.794 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m -129.81 144.0 51.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.576 1.95 . . . . 0.0 109.604 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.82 134.07 43.31 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.639 -0.663 . . . . 0.0 110.352 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.9 tp -130.88 132.91 45.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.588 1.155 . . . . 0.0 111.686 -171.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.3 107.23 14.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.263 1.425 . . . . 0.0 110.19 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.71 -11.71 47.61 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 121.165 -0.959 . . . . 0.0 113.44 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.0 mtt -84.62 -38.47 19.83 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.753 1.621 . . . . 0.0 113.469 -175.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -130.56 -19.5 3.02 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.706 1.603 . . . . 0.0 114.592 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.42 5.27 61.96 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.962 1.268 . . . . 0.0 115.189 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.5 143.95 46.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.787 1.293 . . . . 0.0 112.665 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -109.62 142.76 40.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.96 1.704 . . . . 0.0 112.66 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -138.15 153.95 49.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.233 1.813 . . . . 0.0 112.765 -170.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -75.7 -29.52 59.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.9 t -143.44 158.18 43.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.194 1.397 . . . . 0.0 112.127 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -61.84 -34.49 76.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.46 1.104 . . . . 0.0 112.05 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.3 -35.24 87.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.815 0.721 . . . . 0.0 112.924 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -67.64 -45.93 73.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.21 1.004 . . . . 0.0 111.084 173.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.21 -43.77 98.34 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.811 0.844 . . . . 0.0 111.56 173.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -59.22 -46.54 88.2 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.015 0.926 . . . . 0.0 111.629 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.9 m -61.95 -24.22 66.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.14 0.976 . . . . 0.0 112.973 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -82.7 -44.2 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.658 1.183 . . . . 0.0 112.065 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -61.99 -21.39 64.81 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.71 -26.98 47.92 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.129 0.972 . . . . 0.0 113.108 169.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -74.74 -23.01 58.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.514 1.126 . . . . 0.0 113.098 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -88.16 -40.17 13.95 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.293 1.037 . . . . 0.0 112.073 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.7 p -83.14 -23.57 32.92 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.33 26.52 7.01 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.936 1.694 . . . . 0.0 114.028 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -72.03 145.04 48.55 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.226 1.01 . . . . 0.0 112.889 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 C-N-CA 125.178 1.37 . . . . 0.0 112.978 -178.644 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -66.17 148.09 52.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.511 1.124 . . . . 0.0 113.013 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -150.44 164.73 35.17 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.168 1.387 . . . . 0.0 111.892 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.97 167.11 40.26 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.358 1.456 . . . . 0.0 112.945 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 57.2 -170.7 0.1 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.362 1.465 . . . . 0.0 113.588 -170.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -63.97 138.74 58.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.861 1.264 . . . . 0.0 112.448 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.13 -11.84 84.67 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.449 0.94 . . . . 0.0 115.449 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.31 157.55 15.98 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.646 1.578 . . . . 0.0 112.417 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 m -123.44 142.6 50.82 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.576 1.55 . . . . 0.0 110.039 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -82.76 139.31 33.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.668 0.787 . . . . 0.0 109.987 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 tp -135.74 135.73 40.22 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.23 123.13 23.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.583 1.553 . . . . 0.0 109.763 168.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.27 -9.71 59.72 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.402 0.681 . . . . 0.0 112.453 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.66 -40.38 8.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.932 1.293 . . . . 0.0 113.47 -171.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -127.6 -4.04 5.96 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.22 7.67 84.77 Favored Glycine 0 CA--C 1.539 1.553 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 169.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.53 143.12 48.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.923 1.289 . . . . 0.0 112.377 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -107.04 144.49 33.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.658 1.583 . . . . 0.0 112.68 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.18 154.05 51.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.549 1.94 . . . . 0.0 113.02 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.19 -19.91 42.31 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.276 1.431 . . . . 0.0 114.126 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t -144.86 150.65 37.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.125 1.37 . . . . 0.0 112.332 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -61.37 -29.98 70.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.71 1.204 . . . . 0.0 112.898 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.12 76.42 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-N 119.052 0.842 . . . . 0.0 112.604 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 m -67.98 -43.62 78.55 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.903 0.881 . . . . 0.0 111.09 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.62 -42.07 99.37 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.223 0.609 . . . . 0.0 111.933 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -46.97 85.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.634 1.106 . . . . 0.0 111.301 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m -60.1 -22.96 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.349 1.06 . . . . 0.0 113.09 176.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -89.67 -41.56 11.86 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.007 1.323 . . . . 0.0 112.981 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -62.42 -30.51 71.28 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.8 -1.187 . . . . 0.0 112.843 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -56.91 -27.62 61.0 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 113.478 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.2 mt -75.12 -17.84 60.35 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.287 1.035 . . . . 0.0 113.344 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -95.62 0.03 52.35 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.251 1.42 . . . . 0.0 113.874 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -141.58 175.47 9.66 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.551 1.141 . . . . 0.0 113.018 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.29 30.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.3 1.44 . . . . 0.0 113.151 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -77.52 -9.23 58.79 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 125.558 1.551 . . . . 0.0 112.972 179.441 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.5 0 N-CA-C 111.846 -0.502 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m 62.8 164.86 0.11 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.733 2.013 . . . . 0.0 115.453 -176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m 62.9 -36.2 0.14 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.763 2.825 . . . . 0.0 117.537 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.47 -27.11 0.87 Allowed Glycine 0 CA--C 1.54 1.623 0 C-N-CA 126.431 1.967 . . . . 0.0 116.02 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -63.03 -24.84 68.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.537 1.535 . . . . 0.0 114.087 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -63.24 -22.13 66.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.861 1.265 . . . . 0.0 113.528 172.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.88 -11.31 54.09 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.885 1.231 . . . . 0.0 114.716 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.28 -12.16 60.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.946 1.298 . . . . 0.0 113.522 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 m -115.42 141.23 48.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.676 1.591 . . . . 0.0 110.665 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -78.4 144.12 36.18 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.718 -0.614 . . . . 0.0 110.235 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 tp -140.61 135.12 31.42 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.42 122.38 22.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.456 1.503 . . . . 0.0 109.6 168.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -80.7 -2.83 48.39 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.461 -0.774 . . . . 0.0 112.728 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.0 mtm -111.42 -34.0 6.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.096 1.359 . . . . 0.0 114.078 -169.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.06 -0.33 4.15 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.91 2.79 90.65 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 116.441 1.336 . . . . 0.0 116.441 169.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -67.81 145.2 54.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.37 1.468 . . . . 0.0 111.869 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -114.32 141.52 47.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.532 1.533 . . . . 0.0 111.918 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -135.18 153.77 51.84 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.061 1.744 . . . . 0.0 113.049 -168.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -80.27 -24.78 39.83 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.145 . . . . 0.0 113.742 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 t -143.5 152.63 41.72 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 112.37 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -61.52 -33.18 73.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.416 1.086 . . . . 0.0 111.919 173.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 -36.39 93.03 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.87 0.748 . . . . 0.0 112.802 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 m -70.67 -46.09 63.86 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.201 1.001 . . . . 0.0 111.214 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.06 -42.39 99.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 111.988 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.3 -52.82 41.72 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.094 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -68.94 -19.62 64.19 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -81.05 -42.37 21.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.063 0.945 . . . . 0.0 112.266 169.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -59.62 -33.13 71.1 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.991 -1.068 . . . . 0.0 112.767 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -29.87 63.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.021 0.928 . . . . 0.0 113.479 172.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.2 -17.37 62.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.306 1.042 . . . . 0.0 113.404 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -91.37 -0.3 57.63 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.936 1.294 . . . . 0.0 113.643 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -142.66 -169.6 3.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.006 1.322 . . . . 0.0 112.122 -172.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.59 31.23 12.14 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.673 1.989 . . . . 0.0 114.902 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 54.98 28.25 10.38 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.179 1.791 . . . . 0.0 114.543 -175.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 C-N-CA 125.598 1.57 . . . . 0.0 114.216 177.274 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.42 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -148.76 161.02 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 112.992 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m 56.32 23.24 7.04 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.35 64.09 2.51 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.683 1.611 . . . . 0.0 113.464 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -65.9 147.35 53.5 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.955 1.302 . . . . 0.0 112.924 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -75.66 150.1 38.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.991 0.916 . . . . 0.0 112.55 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 177.76 40.8 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.311 1.434 . . . . 0.0 113.166 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.97 -30.27 55.91 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.062 0.945 . . . . 0.0 112.938 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 m -74.99 141.2 43.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.932 1.293 . . . . 0.0 110.405 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -80.52 142.86 33.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.223 0.609 . . . . 0.0 110.52 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -137.4 135.72 37.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 112.805 -170.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.37 116.42 17.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 109.861 168.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.14 14.06 4.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.159 1.383 . . . . 0.0 112.779 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 mtt -118.36 -37.22 3.37 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.688 1.195 . . . . 0.0 113.315 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.9 p -131.9 -0.47 3.81 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.37 7.29 82.85 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 169.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -78.05 143.83 37.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 112.712 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -106.44 143.32 34.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.511 1.524 . . . . 0.0 113.029 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -136.73 154.87 50.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.591 1.956 . . . . 0.0 113.037 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -82.65 -18.12 42.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -151.74 156.61 40.63 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.14 1.376 . . . . 0.0 111.84 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -61.95 -34.5 76.23 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.321 1.048 . . . . 0.0 111.837 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.81 -37.97 93.91 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.771 0.701 . . . . 0.0 112.736 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 m -67.49 -45.7 75.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.081 0.952 . . . . 0.0 111.02 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.76 -40.74 98.22 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.453 0.701 . . . . 0.0 111.91 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.98 -46.22 90.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.349 0.977 . . . . 0.0 111.48 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -59.78 -25.44 64.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.131 0.972 . . . . 0.0 112.81 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -84.96 -43.4 14.05 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.506 1.123 . . . . 0.0 112.697 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -58.86 -34.47 71.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.594 1.158 . . . . 0.0 112.776 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.11 -29.05 60.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.36 -25.87 62.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.883 0.873 . . . . 0.0 112.582 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -85.92 -47.64 9.45 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.091 0.956 . . . . 0.0 111.725 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.1 p -76.57 -7.54 55.4 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -171.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -19.96 64.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -80.61 140.25 35.83 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.304 1.042 . . . . 0.0 112.359 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 C-N-CA 125.052 1.311 . . . . 0.0 113.088 -178.786 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -135.19 151.49 50.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.213 1.405 . . . . 0.0 112.069 -176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -76.9 -15.08 59.79 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.63 -164.45 54.05 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.22 0.914 . . . . 0.0 113.739 -174.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 p -76.38 152.32 36.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.592 1.157 . . . . 0.0 113.097 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -83.14 143.23 30.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.376 1.07 . . . . 0.0 112.933 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -177.95 34.17 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.736 1.16 . . . . 0.0 115.222 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -122.23 -14.65 7.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.413 1.485 . . . . 0.0 114.19 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 p -90.47 154.58 19.53 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.845 1.658 . . . . 0.0 112.799 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -92.46 99.3 12.06 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 168.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.1 tp -101.12 134.72 43.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.906 1.282 . . . . 0.0 113.599 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.5 121.84 21.22 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.771 1.628 . . . . 0.0 109.686 168.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -80.45 -4.92 55.6 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.604 -0.685 . . . . 0.0 112.771 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -104.99 -33.69 8.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.058 1.343 . . . . 0.0 114.026 -169.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.35 -7.43 3.77 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 3.02 82.54 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.979 1.152 . . . . 0.0 115.979 172.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.96 144.84 55.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.788 1.235 . . . . 0.0 112.041 176.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -117.58 138.1 52.16 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.969 1.707 . . . . 0.0 111.214 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -132.47 157.78 43.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.93 1.692 . . . . 0.0 112.018 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -91.41 -6.83 52.21 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -152.58 155.55 37.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.82 1.248 . . . . 0.0 111.942 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.81 -41.26 77.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.886 1.274 . . . . 0.0 111.585 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.12 -39.45 92.69 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.756 0.693 . . . . 0.0 112.915 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 m -65.11 -43.62 91.4 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 117.956 0.878 . . . . 0.0 111.3 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.68 -41.35 98.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.157 0.583 . . . . 0.0 111.922 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.74 -48.88 79.65 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.669 1.122 . . . . 0.0 111.531 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -60.85 -20.22 61.38 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -87.5 -43.72 11.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.314 1.046 . . . . 0.0 112.75 171.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.77 -34.36 72.89 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.915 -1.115 . . . . 0.0 112.492 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.06 -27.05 65.15 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.12 -26.55 61.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.048 0.939 . . . . 0.0 112.809 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -81.24 -45.88 15.62 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.531 0.732 . . . . 0.0 111.539 171.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -156.82 138.39 14.05 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.295 1.038 . . . . 0.0 112.442 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.86 0.83 57.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.568 1.147 . . . . 0.0 113.35 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -122.28 -31.57 3.8 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.972 1.309 . . . . 0.0 113.906 -173.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.063 1.316 . . . . 0.0 114.086 178.367 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -134.51 149.82 50.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.333 1.453 . . . . 0.0 112.133 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -80.21 -5.03 55.43 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.81 -169.99 36.02 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.423 1.487 . . . . 0.0 112.93 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -143.32 159.15 42.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 111.896 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 m -136.32 161.04 36.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.43 1.492 . . . . 0.0 112.978 -169.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.98 73.48 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.277 0.942 . . . . 0.0 114.618 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -120.42 163.87 17.25 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.596 1.959 . . . . 0.0 112.337 -173.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.99 139.56 58.02 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.647 1.579 . . . . 0.0 113.261 -169.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -88.81 154.51 20.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.765 1.226 . . . . 0.0 110.267 171.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 tp -142.34 136.64 29.86 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -168.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -74.26 122.49 22.92 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.86 1.664 . . . . 0.0 109.689 168.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -81.14 -3.69 52.92 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.468 0.707 . . . . 0.0 112.728 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.7 mtm -108.19 -34.82 6.73 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.046 1.339 . . . . 0.0 113.886 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 p -132.4 -0.44 3.62 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.42 3.08 90.67 Favored Glycine 0 CA--C 1.536 1.364 0 N-CA-C 116.405 1.322 . . . . 0.0 116.405 169.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -69.14 147.18 51.77 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 111.823 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -115.79 141.15 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.438 1.495 . . . . 0.0 112.091 -170.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.08 154.02 51.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.678 1.591 . . . . 0.0 113.571 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -73.31 -22.83 60.25 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -155.6 152.81 29.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.437 1.495 . . . . 0.0 111.206 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.247 1.019 . . . . 0.0 112.243 169.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.26 -27.04 73.91 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.165 0.888 . . . . 0.0 113.864 173.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -83.38 -43.93 15.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.354 1.062 . . . . 0.0 110.898 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.09 -41.26 87.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.141 0.976 . . . . 0.0 111.965 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -48.0 -51.86 22.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.685 1.194 . . . . 0.0 111.559 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.1 m -69.75 -20.81 63.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.243 1.017 . . . . 0.0 113.105 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -80.96 -41.23 23.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.951 0.9 . . . . 0.0 112.151 169.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.93 -33.94 72.55 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.018 -1.051 . . . . 0.0 112.659 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.01 -30.97 62.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 171.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.97 -21.11 62.36 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.756 0.822 . . . . 0.0 112.931 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -88.25 -36.89 16.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.107 0.963 . . . . 0.0 112.507 172.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.7 p -88.45 -28.02 21.14 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.22 139.29 38.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.22 0.918 . . . . 0.0 112.368 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -93.51 -23.48 18.33 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.415 1.086 . . . . 0.0 113.605 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.49 1.519 . . . . 0.0 112.876 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 m -67.35 150.41 49.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.582 1.153 . . . . 0.0 113.142 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -80.61 152.98 28.27 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.244 1.018 . . . . 0.0 112.365 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.67 -179.41 37.56 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.961 1.267 . . . . 0.0 114.715 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -144.21 149.48 36.46 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.313 1.445 . . . . 0.0 111.96 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -73.02 153.97 40.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.378 1.071 . . . . 0.0 112.493 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.44 178.25 48.59 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.344 0.973 . . . . 0.0 113.525 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -83.01 37.92 0.56 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.778 1.631 . . . . 0.0 113.23 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 m -145.75 140.64 27.33 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.648 1.579 . . . . 0.0 110.119 -173.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -84.23 144.19 29.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.631 1.172 . . . . 0.0 110.422 174.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 tp -138.59 134.8 34.26 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -169.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -73.29 123.17 23.21 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.639 1.575 . . . . 0.0 109.664 168.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -81.62 -9.58 59.63 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.427 0.691 . . . . 0.0 112.491 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -100.1 -40.22 7.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.963 1.305 . . . . 0.0 113.616 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.55 -1.66 6.16 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.51 8.88 85.57 Favored Glycine 0 CA--C 1.537 1.425 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 168.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.06 142.68 43.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.07 1.348 . . . . 0.0 112.319 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -105.05 143.47 33.19 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.478 1.511 . . . . 0.0 112.837 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -137.02 157.06 47.57 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.63 2.372 . . . . 0.0 110.992 -173.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -106.66 8.44 31.11 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.1 t -149.07 145.64 27.35 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.375 1.47 . . . . 0.0 111.679 171.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -33.9 76.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.059 1.344 . . . . 0.0 111.519 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -38.01 91.14 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.517 0.579 . . . . 0.0 112.828 175.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 m -68.0 -43.7 78.28 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 117.733 0.766 . . . . 0.0 111.202 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.6 -41.58 97.65 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.054 0.541 . . . . 0.0 111.848 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -60.38 -48.07 83.32 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.248 0.931 . . . . 0.0 111.399 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 t -56.78 -28.71 61.74 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.248 1.019 . . . . 0.0 112.571 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -84.26 -41.46 16.87 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.62 1.168 . . . . 0.0 112.958 175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -63.99 -29.94 71.06 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.699 -1.25 . . . . 0.0 113.156 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.66 -23.13 58.67 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.2 -19.09 57.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.292 1.037 . . . . 0.0 113.057 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -100.02 -35.06 9.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.136 1.374 . . . . 0.0 113.447 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -71.92 152.34 42.62 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.71 9.71 16.47 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.356 1.463 . . . . 0.0 114.014 -173.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.7 146.82 34.77 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.668 1.587 . . . . 0.0 111.7 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.186 0 C-N-CA 125.346 1.451 . . . . 0.0 113.049 -178.18 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -155.62 158.66 38.71 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.549 1.54 . . . . 0.0 111.183 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -78.94 53.13 1.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.4 1.48 . . . . 0.0 111.47 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.02 14.16 23.08 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.597 1.57 . . . . 0.0 114.325 -170.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m 52.11 24.37 2.7 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.374 1.87 . . . . 0.0 113.923 -168.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -101.92 -40.75 6.75 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.389 1.475 . . . . 0.0 112.03 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.91 153.47 40.08 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.944 0.783 . . . . 0.0 112.557 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -83.08 131.91 35.13 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.975 0.91 . . . . 0.0 111.029 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 m -147.69 145.3 28.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.494 1.518 . . . . 0.0 109.558 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -79.27 141.21 37.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.739 -0.601 . . . . 0.0 110.46 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -135.45 133.63 38.78 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.383 1.073 . . . . 0.0 111.791 -173.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.0 t -78.49 117.04 19.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.311 1.445 . . . . 0.0 110.242 169.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -76.54 -5.75 48.95 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.379 -0.826 . . . . 0.0 113.14 173.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.4 mtt -93.9 -37.64 11.61 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.737 1.215 . . . . 0.0 113.566 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.84 -13.28 4.68 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.43 1.492 . . . . 0.0 114.382 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.16 72.14 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.81 141.73 48.04 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.671 1.236 . . . . 0.0 112.754 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -102.95 144.51 31.14 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 112.987 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.59 156.68 48.23 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.76 2.024 . . . . 0.0 112.854 -172.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -74.03 -28.98 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -150.84 156.2 40.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.929 1.292 . . . . 0.0 112.294 -167.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.01 -36.33 79.21 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.406 1.082 . . . . 0.0 111.914 176.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.97 94.54 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 123.691 0.663 . . . . 0.0 112.757 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 -46.22 70.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.009 0.923 . . . . 0.0 111.207 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.78 -42.36 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 111.716 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.24 -48.23 80.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 111.453 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 m -60.59 -26.42 66.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.997 0.919 . . . . 0.0 112.656 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -79.9 -45.61 18.27 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.487 1.115 . . . . 0.0 111.993 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.87 -24.27 67.73 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.06 -27.6 54.13 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 169.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.3 mt -77.74 -16.15 58.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.591 1.156 . . . . 0.0 113.626 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -88.99 -4.15 58.51 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.628 1.171 . . . . 0.0 113.718 176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -137.51 168.01 20.5 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.564 1.145 . . . . 0.0 113.313 -171.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.41 166.6 13.62 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.559 1.544 . . . . 0.0 112.94 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.48 -16.55 60.85 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 C-N-CA 125.606 1.574 . . . . 0.0 112.922 -179.625 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -147.41 175.52 10.75 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.33 1.452 . . . . 0.0 112.228 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -79.17 27.45 0.24 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.437 1.495 . . . . 0.0 113.783 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.2 38.71 9.8 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 120.889 -1.132 . . . . 0.0 113.444 -174.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -60.4 -22.83 63.82 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -70.05 -18.41 63.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.03 1.332 . . . . 0.0 113.917 174.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.94 122.46 0.63 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.528 1.061 . . . . 0.0 112.822 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -88.03 157.62 18.84 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.547 1.539 . . . . 0.0 112.114 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -133.84 143.15 48.15 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.218 1.407 . . . . 0.0 110.49 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -84.38 144.1 29.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.829 0.852 . . . . 0.0 110.682 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -138.44 134.49 34.12 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 113.009 -169.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.0 120.41 20.49 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.937 1.695 . . . . 0.0 109.849 168.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.56 -4.48 58.99 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -90.83 -43.66 9.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.322 1.049 . . . . 0.0 113.487 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -129.21 -2.01 5.08 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.82 8.71 83.95 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 116.527 1.371 . . . . 0.0 116.527 168.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -76.83 143.26 39.87 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.214 1.406 . . . . 0.0 112.314 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -106.29 143.44 34.41 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.482 1.513 . . . . 0.0 113.015 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -136.07 154.83 50.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.295 1.838 . . . . 0.0 113.374 -170.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -76.59 -22.03 54.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.805 1.642 . . . . 0.0 115.351 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.6 t -153.52 155.38 36.1 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.055 1.342 . . . . 0.0 111.663 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -61.98 -35.14 77.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.424 1.09 . . . . 0.0 111.979 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.4 92.69 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 123.811 0.719 . . . . 0.0 112.802 174.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -69.36 -43.56 73.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.853 0.861 . . . . 0.0 111.259 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.33 -42.34 99.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.461 0.704 . . . . 0.0 111.926 173.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -61.48 -44.32 97.29 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.575 1.15 . . . . 0.0 111.444 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 m -60.91 -26.02 67.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.862 0.865 . . . . 0.0 112.918 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -84.04 -42.58 16.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.591 1.156 . . . . 0.0 112.461 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -63.24 -30.29 71.46 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.834 -1.166 . . . . 0.0 113.471 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.74 -25.71 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.9 -30.06 61.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.215 1.006 . . . . 0.0 112.571 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.99 -50.1 11.66 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.772 0.829 . . . . 0.0 111.0 170.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 m -89.17 45.88 1.33 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.296 1.838 . . . . 0.0 111.282 -175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.26 -14.47 63.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.562 1.145 . . . . 0.0 113.808 -174.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.97 -10.99 59.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.239 1.815 . . . . 0.0 114.056 173.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.252 0 C-N-CA 125.699 1.618 . . . . 0.0 114.568 176.369 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_