data_1n09_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 1n09 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.0 m . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 t -139.21 174.47 10.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.837 1.255 . . . . 0.0 110.845 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -101.39 142.64 32.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.608 0.763 . . . . 0.0 111.759 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.63 98.31 4.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.308 2.243 . . . . 0.0 109.214 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 -78.89 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.326 0.965 . . . . 0.0 110.864 -171.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -149.46 17.17 0.92 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.882 2.073 . . . . 0.0 112.924 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.44 149.97 31.83 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.09 1.356 . . . . 0.0 110.71 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -81.53 131.06 35.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 169.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.6 m -129.83 138.08 50.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.435 0.694 . . . . 0.0 110.021 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 124.571 1.148 . . . . 0.0 111.537 -177.274 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -139.92 -173.82 3.75 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 110.147 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.38 155.65 16.88 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.032 -1.043 . . . . 0.0 112.339 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -134.09 82.72 1.99 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.396 1.479 . . . . 0.0 108.901 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.23 -84.18 0.02 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.97 1.748 . . . . 0.0 112.741 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.5 4.52 11.15 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.64 2.376 . . . . 0.0 112.739 -170.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -132.45 154.51 49.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.824 1.25 . . . . 0.0 111.411 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -82.06 141.28 33.31 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.3 m -136.5 126.72 26.37 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.28 1.432 . . . . 0.0 109.754 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.0 179.145 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 110.802 -0.073 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -141.06 174.18 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.015 1.726 . . . . 0.0 112.514 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.13 148.59 28.43 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.761 -1.212 . . . . 0.0 111.456 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -135.99 94.44 3.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.529 1.531 . . . . 0.0 109.256 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.53 -67.71 0.17 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 126.94 2.209 . . . . 0.0 114.298 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.25 5.34 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.867 1.667 . . . . 0.0 113.953 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -124.62 169.53 11.84 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.992 1.717 . . . . 0.0 111.811 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -89.0 143.46 26.84 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.86 157.22 46.86 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.817 0.847 . . . . 0.0 111.467 175.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 124.332 1.053 . . . . 0.0 110.83 179.093 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 m -141.94 144.66 33.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.819 1.648 . . . . 0.0 110.392 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -89.76 133.42 34.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.435 1.094 . . . . 0.0 110.908 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -118.95 75.67 1.05 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.046 2.539 . . . . 0.0 106.867 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.05 -60.25 0.03 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 128.436 2.922 . . . . 0.0 115.901 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 11.27 1.63 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.328 1.851 . . . . 0.0 112.79 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HE2' ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -135.22 157.13 47.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.421 1.888 . . . . 0.0 109.803 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.416 ' H ' ' HE2' ' A' ' 8' ' ' LYS . 31.8 tp -107.42 137.7 44.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.862 1.265 . . . . 0.0 110.014 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -128.05 147.47 50.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.4 1.48 . . . . 0.0 109.5 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 118.826 0.739 . . . . 0.0 110.755 173.596 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 122.353 1.073 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 p -140.51 148.03 40.45 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.154 2.181 . . . . 0.0 110.192 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -98.69 107.96 20.53 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.7 1.2 . . . . 0.0 108.646 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -103.31 105.42 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.703 1.201 . . . . 0.0 108.792 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.96 -74.9 0.25 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.158 1.361 . . . . 0.0 113.393 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -148.15 17.87 1.08 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.352 1.461 . . . . 0.0 113.487 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 158.14 44.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.493 1.117 . . . . 0.0 112.38 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -88.08 114.23 24.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.141 0.976 . . . . 0.0 111.028 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 m -108.15 129.7 55.16 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 109.505 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--N 1.32 -0.704 0 C-N-CA 123.371 0.669 . . . . 0.0 111.481 179.439 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.7 m -135.2 132.39 37.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.467 2.307 . . . . 0.0 108.79 -173.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -78.59 126.52 30.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.41 0.624 . . . . 0.0 111.304 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.4 71.7 0.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.864 2.066 . . . . 0.0 107.365 171.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 62.1 -90.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.624 1.583 . . . . 0.0 111.88 -171.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.1 -2.95 14.84 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.683 1.993 . . . . 0.0 111.693 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -109.66 156.42 20.25 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.681 1.993 . . . . 0.0 110.17 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.31 138.69 46.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.943 0.897 . . . . 0.0 108.986 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -127.19 130.53 49.87 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.468 1.507 . . . . 0.0 107.829 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 118.728 0.694 . . . . 0.0 111.412 -175.353 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.758 -0.09 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -138.03 176.01 9.08 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.619 1.568 . . . . 0.0 112.013 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -113.61 150.05 33.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.824 1.649 . . . . 0.0 111.325 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.86 85.12 2.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.614 1.965 . . . . 0.0 108.793 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.28 -74.28 0.14 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.752 1.644 . . . . 0.0 113.562 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -136.23 8.03 3.16 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.805 2.442 . . . . 0.0 112.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -121.76 150.97 41.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.827 2.451 . . . . 0.0 109.989 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -121.76 128.89 52.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.36 2.264 . . . . 0.0 108.64 -174.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.4 p -138.23 154.18 49.1 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.452 0.569 . . . . 0.0 112.452 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.014 178.779 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.0 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -140.3 130.72 25.33 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.006 1.723 . . . . 0.0 110.252 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.77 146.69 32.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.259 1.028 . . . . 0.0 110.855 169.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -130.74 70.66 1.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 129.308 3.043 . . . . 0.0 107.011 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.51 -109.29 1.89 Allowed Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.167 -0.958 . . . . 0.0 110.973 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 2.8 53.22 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.403 1.102 . . . . 0.0 113.57 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -113.54 148.08 36.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.298 2.239 . . . . 0.0 109.418 -175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -116.05 146.44 42.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.004 0.921 . . . . 0.0 110.652 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -136.57 126.1 25.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.227 1.011 . . . . 0.0 110.32 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.9 m . . . . . 0 CA--C 1.535 0.386 0 C-N-CA 124.638 1.175 . . . . 0.0 109.685 -176.194 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 121.855 0.836 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -135.93 167.78 20.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.619 2.368 . . . . 0.0 110.28 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -116.82 118.38 32.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.62 1.568 . . . . 0.0 108.766 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -125.34 101.29 6.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.884 1.274 . . . . 0.0 109.593 -170.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.69 -87.48 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.964 1.269 . . . . 0.0 112.232 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.64 27.21 1.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.226 1.41 . . . . 0.0 112.4 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -132.26 146.23 51.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.798 1.639 . . . . 0.0 109.031 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -86.64 133.02 33.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.035 0.934 . . . . 0.0 109.136 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.73 98.11 5.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.126 1.77 . . . . 0.0 110.986 -175.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.527 1.531 . . . . 0.0 110.984 174.282 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.3 m . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.7 m -137.06 150.35 47.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.055 1.342 . . . . 0.0 110.207 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -93.13 117.46 30.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.657 1.183 . . . . 0.0 110.239 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.01 92.32 3.56 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.818 1.247 . . . . 0.0 109.732 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.35 -68.87 0.9 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 126.087 1.803 . . . . 0.0 113.174 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -144.34 7.86 1.35 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.431 1.492 . . . . 0.0 113.98 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -130.38 160.31 34.39 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.688 1.131 . . . . 0.0 112.539 172.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.7 tp -99.42 131.49 45.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 169.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 m -125.57 115.28 19.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.642 0.777 . . . . 0.0 109.323 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 124.884 1.274 . . . . 0.0 112.355 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.7 m . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 111.345 0.128 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 t -140.86 160.53 39.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.207 1.003 . . . . 0.0 113.084 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.57 130.12 34.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.119 1.368 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -131.28 92.67 3.23 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.108 1.763 . . . . 0.0 110.493 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.62 -72.48 0.65 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.605 1.097 . . . . 0.0 112.896 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.06 -2.11 2.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 113.408 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -121.36 166.14 14.51 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 112.023 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.67 121.17 41.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.027 2.131 . . . . 0.0 108.809 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -116.47 146.34 42.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.031 . . . . 0.0 108.779 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 CA--C 1.537 0.454 0 C-N-CA 124.137 0.975 . . . . 0.0 111.371 177.314 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 CA--C 1.54 0.594 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -132.45 162.94 29.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.2 172.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -104.38 141.85 35.6 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.587 1.955 . . . . 0.0 112.438 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -140.92 97.56 3.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.86 1.664 . . . . 0.0 111.333 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.08 -69.98 0.45 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.23 1.395 . . . . 0.0 114.46 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.01 7.94 2.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.453 1.501 . . . . 0.0 113.5 173.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -132.76 164.12 27.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.961 1.704 . . . . 0.0 111.404 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.65 144.08 44.43 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.799 2.04 . . . . 0.0 110.156 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -135.05 131.28 36.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.561 1.144 . . . . 0.0 108.503 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 123.504 0.722 . . . . 0.0 111.417 -179.178 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.6 m . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.519 0.199 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -132.49 166.09 22.83 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.691 1.996 . . . . 0.0 110.932 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -105.67 148.51 27.31 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.919 1.688 . . . . 0.0 111.655 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.85 34.82 3.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.285 2.234 . . . . 0.0 108.899 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.8 -70.22 2.92 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.702 1.62 . . . . 0.0 111.047 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -17.18 18.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.234 1.414 . . . . 0.0 113.245 -171.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 164.13 25.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.058 2.143 . . . . 0.0 111.192 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tt -122.34 138.11 54.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.953 2.101 . . . . 0.0 111.379 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 p -133.77 150.0 51.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.874 1.27 . . . . 0.0 111.73 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 124.331 1.052 . . . . 0.0 112.107 -177.006 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.745 0.307 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -137.63 131.15 31.13 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.705 2.002 . . . . 0.0 109.844 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -82.08 121.13 26.18 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.059 0.943 . . . . 0.0 110.344 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.68 77.53 1.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.55 -105.24 1.39 Allowed Glycine 0 CA--C 1.529 0.944 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.049 -169.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -103.1 -0.21 30.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.89 1.276 . . . . 0.0 113.334 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -115.89 138.3 51.3 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.086 2.155 . . . . 0.0 108.878 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -94.18 135.94 35.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.709 0.804 . . . . 0.0 110.377 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -130.64 145.41 51.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.674 0.789 . . . . 0.0 109.773 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 CA--C 1.534 0.346 0 O-C-N 121.525 -0.735 . . . . 0.0 112.399 -172.024 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.356 0.598 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -137.77 176.17 8.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.921 2.488 . . . . 0.0 110.863 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -124.91 138.31 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.522 1.929 . . . . 0.0 112.111 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -131.74 83.51 2.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.01 2.524 . . . . 0.0 109.109 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.41 0.38 Allowed Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.989 2.233 . . . . 0.0 117.378 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.81 8.87 1.93 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.81 2.044 . . . . 0.0 110.767 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -130.67 157.39 42.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.897 2.079 . . . . 0.0 110.628 -175.531 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.57 137.1 52.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.466 2.306 . . . . 0.0 108.158 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.5 m -128.89 145.87 51.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.032 0.933 . . . . 0.0 110.619 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 125.38 1.472 . . . . 0.0 111.992 -176.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.473 0.177 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -135.97 146.86 47.69 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -83.17 100.33 10.49 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 122.184 0.993 . . . . 0.0 109.372 169.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.15 86.24 2.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.595 1.958 . . . . 0.0 109.965 -170.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.05 -62.28 0.98 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.337 1.923 . . . . 0.0 114.213 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.69 13.2 1.04 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.149 1.78 . . . . 0.0 112.496 174.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -130.98 159.64 36.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.632 1.973 . . . . 0.0 110.159 -169.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.7 98.66 7.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.864 0.865 . . . . 0.0 108.704 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 m -110.91 130.52 55.56 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.052 0.941 . . . . 0.0 109.799 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 CA--C 1.531 0.216 0 C-N-CA 123.555 0.742 . . . . 0.0 111.415 179.81 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 p -141.18 134.77 30.03 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.887 2.075 . . . . 0.0 111.173 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -81.83 146.03 30.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.527 0.731 . . . . 0.0 111.629 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -139.17 78.68 1.68 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.166 1.786 . . . . 0.0 110.091 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.64 -78.79 0.18 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.353 1.454 . . . . 0.0 113.571 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.33 -3.61 10.49 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 128.584 2.753 . . . . 0.0 110.721 -169.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -136.67 172.85 12.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.841 1.656 . . . . 0.0 112.003 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 tp -126.59 139.19 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 127.961 2.504 . . . . 0.0 107.727 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.06 146.55 50.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.345 173.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.049 2.139 . . . . 0.0 110.54 174.569 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.537 0.449 0 CA-C-O 120.472 0.177 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.1 m -124.01 125.52 44.69 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 127.185 2.194 . . . . 0.0 110.647 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -84.42 136.16 33.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.004 1.322 . . . . 0.0 111.266 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.33 71.6 1.08 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.502 1.521 . . . . 0.0 109.646 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.57 -46.14 0.86 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.073 1.797 . . . . 0.0 115.09 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.45 -19.7 0.69 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.139 1.776 . . . . 0.0 112.945 174.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.73 147.44 27.25 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.735 1.214 . . . . 0.0 110.592 -173.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.55 128.99 54.56 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.1 1.36 . . . . 0.0 109.262 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -124.43 145.06 49.71 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.325 1.45 . . . . 0.0 108.718 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 N--CA 1.467 0.423 0 CA-C-N 119.947 1.249 . . . . 0.0 112.393 179.211 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.639 0.257 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -140.7 131.7 26.16 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.714 2.006 . . . . 0.0 112.237 -177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -85.49 144.48 27.93 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 168.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -108.03 21.78 16.9 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.375 1.47 . . . . 0.0 110.496 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.0 -88.66 0.85 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 126.582 2.039 . . . . 0.0 108.306 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -93.42 6.48 48.01 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -141.0 148.92 41.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 110.167 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.9 tp -115.14 135.58 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.722 1.209 . . . . 0.0 110.867 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.78 115.94 23.57 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 127.041 2.136 . . . . 0.0 109.258 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 123.501 0.72 . . . . 0.0 110.0 173.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m -139.65 136.47 34.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.683 1.993 . . . . 0.0 110.319 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -90.09 117.52 28.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.502 1.521 . . . . 0.0 108.727 170.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -141.78 144.56 34.03 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.792 0.806 . . . . 0.0 112.57 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.25 -80.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.496 1.522 . . . . 0.0 112.767 -174.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.36 -1.82 0.8 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.666 1.986 . . . . 0.0 112.715 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.57 170.59 15.29 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.729 1.612 . . . . 0.0 112.552 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.9 tp -104.5 123.1 46.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.652 1.981 . . . . 0.0 108.218 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -113.68 121.48 44.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.375 1.47 . . . . 0.0 108.295 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.243 175.715 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.66 131.57 54.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.942 0.897 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 t -139.21 174.47 10.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.837 1.255 . . . . 0.0 110.845 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -101.39 142.64 32.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.608 0.763 . . . . 0.0 111.759 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.63 98.31 4.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.308 2.243 . . . . 0.0 109.214 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 -78.89 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.326 0.965 . . . . 0.0 110.864 -171.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -149.46 17.17 0.92 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.882 2.073 . . . . 0.0 112.924 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.44 149.97 31.83 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.09 1.356 . . . . 0.0 110.71 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -81.53 131.06 35.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 169.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.6 m -129.83 138.08 50.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.435 0.694 . . . . 0.0 110.021 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.5 m -119.08 153.99 33.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.571 1.148 . . . . 0.0 111.537 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 120.633 -1.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.5 m -138.23 128.96 26.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.637 1.575 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -139.92 -173.82 3.75 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 110.147 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.38 155.65 16.88 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.032 -1.043 . . . . 0.0 112.339 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -134.09 82.72 1.99 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.396 1.479 . . . . 0.0 108.901 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.23 -84.18 0.02 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.97 1.748 . . . . 0.0 112.741 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.5 4.52 11.15 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.64 2.376 . . . . 0.0 112.739 -170.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -132.45 154.51 49.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.824 1.25 . . . . 0.0 111.411 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -82.06 141.28 33.31 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.3 m -136.5 126.72 26.37 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.28 1.432 . . . . 0.0 109.754 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.99 160.87 30.57 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.0 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 121.42 -0.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m -122.16 132.34 54.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.076 1.351 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -141.06 174.18 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.015 1.726 . . . . 0.0 112.514 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.13 148.59 28.43 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.761 -1.212 . . . . 0.0 111.456 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -135.99 94.44 3.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.529 1.531 . . . . 0.0 109.256 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.53 -67.71 0.17 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 126.94 2.209 . . . . 0.0 114.298 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.25 5.34 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.867 1.667 . . . . 0.0 113.953 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -124.62 169.53 11.84 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.992 1.717 . . . . 0.0 111.811 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -89.0 143.46 26.84 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.86 157.22 46.86 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.817 0.847 . . . . 0.0 111.467 175.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.8 m -129.51 126.36 38.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.332 1.053 . . . . 0.0 110.83 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 121.317 -0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.3 m -117.05 145.46 43.71 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.83 1.652 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 m -141.94 144.66 33.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.819 1.648 . . . . 0.0 110.392 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -89.76 133.42 34.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.435 1.094 . . . . 0.0 110.908 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -118.95 75.67 1.05 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.046 2.539 . . . . 0.0 106.867 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.05 -60.25 0.03 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 128.436 2.922 . . . . 0.0 115.901 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 11.27 1.63 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.328 1.851 . . . . 0.0 112.79 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HE2' ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -135.22 157.13 47.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.421 1.888 . . . . 0.0 109.803 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' H ' ' HE2' ' A' ' 8' ' ' LYS . 31.8 tp -107.42 137.7 44.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.862 1.265 . . . . 0.0 110.014 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -128.05 147.47 50.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.4 1.48 . . . . 0.0 109.5 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -136.46 157.54 46.55 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.826 0.739 . . . . 0.0 110.755 173.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 121.485 -0.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.5 m -119.86 153.86 35.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.353 1.073 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 p -140.51 148.03 40.45 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.154 2.181 . . . . 0.0 110.192 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -98.69 107.96 20.53 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.7 1.2 . . . . 0.0 108.646 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -103.31 105.42 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.703 1.201 . . . . 0.0 108.792 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.96 -74.9 0.25 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.158 1.361 . . . . 0.0 113.393 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -148.15 17.87 1.08 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.352 1.461 . . . . 0.0 113.487 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 158.14 44.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.493 1.117 . . . . 0.0 112.38 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -88.08 114.23 24.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.141 0.976 . . . . 0.0 111.028 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 m -108.15 129.7 55.16 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 109.505 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -118.55 142.99 47.07 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.371 0.669 . . . . 0.0 111.481 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 121.705 -0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.5 m -126.95 149.01 50.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.189 0.996 . . . . 0.0 112.186 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.7 m -135.2 132.39 37.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.467 2.307 . . . . 0.0 108.79 -173.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -78.59 126.52 30.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.41 0.624 . . . . 0.0 111.304 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.4 71.7 0.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.864 2.066 . . . . 0.0 107.365 171.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 62.1 -90.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.624 1.583 . . . . 0.0 111.88 -171.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.1 -2.95 14.84 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.683 1.993 . . . . 0.0 111.693 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -109.66 156.42 20.25 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.681 1.993 . . . . 0.0 110.17 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.31 138.69 46.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.943 0.897 . . . . 0.0 108.986 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -127.19 130.53 49.87 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.468 1.507 . . . . 0.0 107.829 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -129.21 150.72 50.47 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 118.728 0.694 . . . . 0.0 111.412 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 121.67 -0.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.5 m -129.69 134.94 47.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.464 1.506 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -138.03 176.01 9.08 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.619 1.568 . . . . 0.0 112.013 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -113.61 150.05 33.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.824 1.649 . . . . 0.0 111.325 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.86 85.12 2.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.614 1.965 . . . . 0.0 108.793 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.28 -74.28 0.14 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.752 1.644 . . . . 0.0 113.562 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -136.23 8.03 3.16 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.805 2.442 . . . . 0.0 112.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -121.76 150.97 41.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.827 2.451 . . . . 0.0 109.989 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -121.76 128.89 52.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.36 2.264 . . . . 0.0 108.64 -174.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.4 p -138.23 154.18 49.1 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.452 0.569 . . . . 0.0 112.452 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.4 m -126.69 140.28 52.52 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.709 -0.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.0 m -134.08 143.06 47.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.101 1.36 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -140.3 130.72 25.33 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.006 1.723 . . . . 0.0 110.252 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.77 146.69 32.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.259 1.028 . . . . 0.0 110.855 169.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -130.74 70.66 1.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 129.308 3.043 . . . . 0.0 107.011 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.51 -109.29 1.89 Allowed Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.167 -0.958 . . . . 0.0 110.973 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 2.8 53.22 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.403 1.102 . . . . 0.0 113.57 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -113.54 148.08 36.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.298 2.239 . . . . 0.0 109.418 -175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -116.05 146.44 42.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.004 0.921 . . . . 0.0 110.652 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -136.57 126.1 25.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.227 1.011 . . . . 0.0 110.32 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.9 m -140.2 151.29 45.09 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.638 1.175 . . . . 0.0 109.685 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.205 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -130.29 156.2 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.855 0.836 . . . . 0.0 113.158 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -135.93 167.78 20.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.619 2.368 . . . . 0.0 110.28 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -116.82 118.38 32.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.62 1.568 . . . . 0.0 108.766 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -125.34 101.29 6.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.884 1.274 . . . . 0.0 109.593 -170.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.69 -87.48 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.964 1.269 . . . . 0.0 112.232 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.64 27.21 1.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.226 1.41 . . . . 0.0 112.4 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -132.26 146.23 51.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.798 1.639 . . . . 0.0 109.031 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -86.64 133.02 33.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.035 0.934 . . . . 0.0 109.136 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.73 98.11 5.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.126 1.77 . . . . 0.0 110.986 -175.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.7 m -98.72 54.47 1.03 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.527 1.531 . . . . 0.0 110.984 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 120.537 -1.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.3 m -123.43 142.61 50.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.349 1.06 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.7 m -137.06 150.35 47.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.055 1.342 . . . . 0.0 110.207 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -93.13 117.46 30.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.657 1.183 . . . . 0.0 110.239 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.01 92.32 3.56 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.818 1.247 . . . . 0.0 109.732 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.35 -68.87 0.9 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 126.087 1.803 . . . . 0.0 113.174 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -144.34 7.86 1.35 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.431 1.492 . . . . 0.0 113.98 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -130.38 160.31 34.39 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.688 1.131 . . . . 0.0 112.539 172.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.7 tp -99.42 131.49 45.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 169.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 m -125.57 115.28 19.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.642 0.777 . . . . 0.0 109.323 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.56 166.07 11.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.884 1.274 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.844 -1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.7 m -130.32 143.66 50.91 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.52 1.128 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 t -140.86 160.53 39.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.207 1.003 . . . . 0.0 113.084 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.57 130.12 34.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.119 1.368 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -131.28 92.67 3.23 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.108 1.763 . . . . 0.0 110.493 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.62 -72.48 0.65 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.605 1.097 . . . . 0.0 112.896 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.06 -2.11 2.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 113.408 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -121.36 166.14 14.51 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 112.023 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.67 121.17 41.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.027 2.131 . . . . 0.0 108.809 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -116.47 146.34 42.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.031 . . . . 0.0 108.779 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -121.54 159.44 26.37 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.137 0.975 . . . . 0.0 111.371 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.246 -0.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.4 m -112.59 145.79 39.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.237 1.415 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -132.45 162.94 29.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.2 172.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -104.38 141.85 35.6 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.587 1.955 . . . . 0.0 112.438 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -140.92 97.56 3.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.86 1.664 . . . . 0.0 111.333 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.08 -69.98 0.45 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.23 1.395 . . . . 0.0 114.46 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.01 7.94 2.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.453 1.501 . . . . 0.0 113.5 173.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -132.76 164.12 27.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.961 1.704 . . . . 0.0 111.404 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.65 144.08 44.43 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.799 2.04 . . . . 0.0 110.156 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -135.05 131.28 36.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.561 1.144 . . . . 0.0 108.503 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m -123.27 142.75 50.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.504 0.722 . . . . 0.0 111.417 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 O-C-N 121.494 -0.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.6 m -126.5 151.65 47.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.741 0.817 . . . . 0.0 111.367 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -132.49 166.09 22.83 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.691 1.996 . . . . 0.0 110.932 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -105.67 148.51 27.31 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.919 1.688 . . . . 0.0 111.655 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.85 34.82 3.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.285 2.234 . . . . 0.0 108.899 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.8 -70.22 2.92 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.702 1.62 . . . . 0.0 111.047 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -17.18 18.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.234 1.414 . . . . 0.0 113.245 -171.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 164.13 25.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.058 2.143 . . . . 0.0 111.192 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tt -122.34 138.11 54.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.953 2.101 . . . . 0.0 111.379 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 p -133.77 150.0 51.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.874 1.27 . . . . 0.0 111.73 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m -117.62 158.49 24.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.331 1.052 . . . . 0.0 112.107 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.8 m -123.19 146.95 47.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.026 0.93 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -137.63 131.15 31.13 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.705 2.002 . . . . 0.0 109.844 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -82.08 121.13 26.18 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.059 0.943 . . . . 0.0 110.344 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.68 77.53 1.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.55 -105.24 1.39 Allowed Glycine 0 CA--C 1.529 0.944 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.049 -169.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -103.1 -0.21 30.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.89 1.276 . . . . 0.0 113.334 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -115.89 138.3 51.3 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.086 2.155 . . . . 0.0 108.878 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -94.18 135.94 35.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.709 0.804 . . . . 0.0 110.377 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -130.64 145.41 51.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.674 0.789 . . . . 0.0 109.773 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -140.89 155.63 46.26 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.525 -0.735 . . . . 0.0 112.399 -172.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 O-C-N 121.456 -0.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m -132.33 160.81 35.21 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.345 1.058 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -137.77 176.17 8.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.921 2.488 . . . . 0.0 110.863 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -124.91 138.31 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.522 1.929 . . . . 0.0 112.111 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -131.74 83.51 2.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.01 2.524 . . . . 0.0 109.109 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.41 0.38 Allowed Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.989 2.233 . . . . 0.0 117.378 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.81 8.87 1.93 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.81 2.044 . . . . 0.0 110.767 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -130.67 157.39 42.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.897 2.079 . . . . 0.0 110.628 -175.531 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.57 137.1 52.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.466 2.306 . . . . 0.0 108.158 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.5 m -128.89 145.87 51.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.032 0.933 . . . . 0.0 110.619 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -129.79 157.89 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.38 1.472 . . . . 0.0 111.992 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 121.462 -0.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.2 m -125.2 152.2 44.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.137 0.575 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -135.97 146.86 47.69 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -83.17 100.33 10.49 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 122.184 0.993 . . . . 0.0 109.372 169.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.15 86.24 2.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.595 1.958 . . . . 0.0 109.965 -170.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.05 -62.28 0.98 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.337 1.923 . . . . 0.0 114.213 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.69 13.2 1.04 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.149 1.78 . . . . 0.0 112.496 174.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -130.98 159.64 36.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.632 1.973 . . . . 0.0 110.159 -169.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.7 98.66 7.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.864 0.865 . . . . 0.0 108.704 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 m -110.91 130.52 55.56 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.052 0.941 . . . . 0.0 109.799 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -104.5 150.87 24.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.555 0.742 . . . . 0.0 111.415 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.305 -0.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m -132.33 144.33 50.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.736 0.815 . . . . 0.0 113.133 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 p -141.18 134.77 30.03 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.887 2.075 . . . . 0.0 111.173 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -81.83 146.03 30.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.527 0.731 . . . . 0.0 111.629 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -139.17 78.68 1.68 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.166 1.786 . . . . 0.0 110.091 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.64 -78.79 0.18 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.353 1.454 . . . . 0.0 113.571 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.33 -3.61 10.49 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 128.584 2.753 . . . . 0.0 110.721 -169.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -136.67 172.85 12.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.841 1.656 . . . . 0.0 112.003 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 tp -126.59 139.19 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 127.961 2.504 . . . . 0.0 107.727 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.06 146.55 50.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.345 173.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.8 m -125.24 23.2 7.7 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.049 2.139 . . . . 0.0 110.54 174.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.7 m -117.21 135.31 53.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.601 1.16 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.1 m -124.01 125.52 44.69 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 127.185 2.194 . . . . 0.0 110.647 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -84.42 136.16 33.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.004 1.322 . . . . 0.0 111.266 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.33 71.6 1.08 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.502 1.521 . . . . 0.0 109.646 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.57 -46.14 0.86 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.073 1.797 . . . . 0.0 115.09 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.45 -19.7 0.69 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.139 1.776 . . . . 0.0 112.945 174.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.73 147.44 27.25 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.735 1.214 . . . . 0.0 110.592 -173.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.55 128.99 54.56 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.1 1.36 . . . . 0.0 109.262 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -124.43 145.06 49.71 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.325 1.45 . . . . 0.0 108.718 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m -140.41 160.33 40.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.947 1.249 . . . . 0.0 112.393 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 121.691 -0.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.42 151.62 45.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.454 1.102 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -140.7 131.7 26.16 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.714 2.006 . . . . 0.0 112.237 -177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -85.49 144.48 27.93 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 168.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -108.03 21.78 16.9 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.375 1.47 . . . . 0.0 110.496 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.0 -88.66 0.85 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 126.582 2.039 . . . . 0.0 108.306 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -93.42 6.48 48.01 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -141.0 148.92 41.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 110.167 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.9 tp -115.14 135.58 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.722 1.209 . . . . 0.0 110.867 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.78 115.94 23.57 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 127.041 2.136 . . . . 0.0 109.258 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.5 m -108.07 141.78 39.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.501 0.72 . . . . 0.0 110.0 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 O-C-N 121.347 -0.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.16 139.67 49.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.753 1.221 . . . . 0.0 111.826 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m -139.65 136.47 34.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.683 1.993 . . . . 0.0 110.319 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -90.09 117.52 28.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.502 1.521 . . . . 0.0 108.727 170.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -141.78 144.56 34.03 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.792 0.806 . . . . 0.0 112.57 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.25 -80.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.496 1.522 . . . . 0.0 112.767 -174.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.36 -1.82 0.8 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.666 1.986 . . . . 0.0 112.715 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.57 170.59 15.29 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.729 1.612 . . . . 0.0 112.552 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.9 tp -104.5 123.1 46.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.652 1.981 . . . . 0.0 108.218 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -113.68 121.48 44.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.375 1.47 . . . . 0.0 108.295 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.76 104.53 10.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.243 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.0 m . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 t -139.21 174.47 10.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.837 1.255 . . . . 0.0 110.845 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -101.39 142.64 32.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.608 0.763 . . . . 0.0 111.759 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.63 98.31 4.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.308 2.243 . . . . 0.0 109.214 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 -78.89 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.326 0.965 . . . . 0.0 110.864 -171.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -149.46 17.17 0.92 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.882 2.073 . . . . 0.0 112.924 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.44 149.97 31.83 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.09 1.356 . . . . 0.0 110.71 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -81.53 131.06 35.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 169.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.6 m -129.83 138.08 50.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.435 0.694 . . . . 0.0 110.021 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 124.571 1.148 . . . . 0.0 111.537 -177.274 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -139.92 -173.82 3.75 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 110.147 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.38 155.65 16.88 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.032 -1.043 . . . . 0.0 112.339 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -134.09 82.72 1.99 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.396 1.479 . . . . 0.0 108.901 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.23 -84.18 0.02 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.97 1.748 . . . . 0.0 112.741 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.5 4.52 11.15 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.64 2.376 . . . . 0.0 112.739 -170.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -132.45 154.51 49.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.824 1.25 . . . . 0.0 111.411 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -82.06 141.28 33.31 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.3 m -136.5 126.72 26.37 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.28 1.432 . . . . 0.0 109.754 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.0 179.145 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 110.802 -0.073 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -141.06 174.18 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.015 1.726 . . . . 0.0 112.514 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.13 148.59 28.43 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.761 -1.212 . . . . 0.0 111.456 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -135.99 94.44 3.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.529 1.531 . . . . 0.0 109.256 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.53 -67.71 0.17 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 126.94 2.209 . . . . 0.0 114.298 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.25 5.34 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.867 1.667 . . . . 0.0 113.953 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -124.62 169.53 11.84 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.992 1.717 . . . . 0.0 111.811 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -89.0 143.46 26.84 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.86 157.22 46.86 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.817 0.847 . . . . 0.0 111.467 175.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 124.332 1.053 . . . . 0.0 110.83 179.093 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 m -141.94 144.66 33.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.819 1.648 . . . . 0.0 110.392 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -89.76 133.42 34.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.435 1.094 . . . . 0.0 110.908 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -118.95 75.67 1.05 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.046 2.539 . . . . 0.0 106.867 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.05 -60.25 0.03 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 128.436 2.922 . . . . 0.0 115.901 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 11.27 1.63 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.328 1.851 . . . . 0.0 112.79 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 157.13 47.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.421 1.888 . . . . 0.0 109.803 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.8 tp -107.42 137.7 44.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.862 1.265 . . . . 0.0 110.014 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -128.05 147.47 50.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.4 1.48 . . . . 0.0 109.5 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 118.826 0.739 . . . . 0.0 110.755 173.596 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 122.353 1.073 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 p -140.51 148.03 40.45 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.154 2.181 . . . . 0.0 110.192 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -98.69 107.96 20.53 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.7 1.2 . . . . 0.0 108.646 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -103.31 105.42 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.703 1.201 . . . . 0.0 108.792 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.96 -74.9 0.25 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.158 1.361 . . . . 0.0 113.393 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -148.15 17.87 1.08 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.352 1.461 . . . . 0.0 113.487 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 158.14 44.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.493 1.117 . . . . 0.0 112.38 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -88.08 114.23 24.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.141 0.976 . . . . 0.0 111.028 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 m -108.15 129.7 55.16 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 109.505 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--N 1.32 -0.704 0 C-N-CA 123.371 0.669 . . . . 0.0 111.481 179.439 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.7 m -135.2 132.39 37.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.467 2.307 . . . . 0.0 108.79 -173.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -78.59 126.52 30.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.41 0.624 . . . . 0.0 111.304 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.4 71.7 0.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.864 2.066 . . . . 0.0 107.365 171.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 62.1 -90.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.624 1.583 . . . . 0.0 111.88 -171.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.1 -2.95 14.84 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.683 1.993 . . . . 0.0 111.693 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -109.66 156.42 20.25 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.681 1.993 . . . . 0.0 110.17 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.31 138.69 46.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.943 0.897 . . . . 0.0 108.986 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -127.19 130.53 49.87 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.468 1.507 . . . . 0.0 107.829 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 118.728 0.694 . . . . 0.0 111.412 -175.353 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.758 -0.09 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -138.03 176.01 9.08 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.619 1.568 . . . . 0.0 112.013 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -113.61 150.05 33.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.824 1.649 . . . . 0.0 111.325 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.86 85.12 2.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.614 1.965 . . . . 0.0 108.793 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.28 -74.28 0.14 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.752 1.644 . . . . 0.0 113.562 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -136.23 8.03 3.16 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.805 2.442 . . . . 0.0 112.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -121.76 150.97 41.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.827 2.451 . . . . 0.0 109.989 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -121.76 128.89 52.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.36 2.264 . . . . 0.0 108.64 -174.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.4 p -138.23 154.18 49.1 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.452 0.569 . . . . 0.0 112.452 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.014 178.779 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.0 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -140.3 130.72 25.33 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.006 1.723 . . . . 0.0 110.252 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.77 146.69 32.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.259 1.028 . . . . 0.0 110.855 169.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -130.74 70.66 1.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 129.308 3.043 . . . . 0.0 107.011 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.51 -109.29 1.89 Allowed Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.167 -0.958 . . . . 0.0 110.973 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 2.8 53.22 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.403 1.102 . . . . 0.0 113.57 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -113.54 148.08 36.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.298 2.239 . . . . 0.0 109.418 -175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -116.05 146.44 42.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.004 0.921 . . . . 0.0 110.652 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -136.57 126.1 25.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.227 1.011 . . . . 0.0 110.32 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.9 m . . . . . 0 CA--C 1.535 0.386 0 C-N-CA 124.638 1.175 . . . . 0.0 109.685 -176.194 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 121.855 0.836 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -135.93 167.78 20.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.619 2.368 . . . . 0.0 110.28 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -116.82 118.38 32.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.62 1.568 . . . . 0.0 108.766 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -125.34 101.29 6.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.884 1.274 . . . . 0.0 109.593 -170.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.69 -87.48 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.964 1.269 . . . . 0.0 112.232 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.64 27.21 1.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.226 1.41 . . . . 0.0 112.4 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -132.26 146.23 51.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.798 1.639 . . . . 0.0 109.031 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -86.64 133.02 33.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.035 0.934 . . . . 0.0 109.136 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.73 98.11 5.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.126 1.77 . . . . 0.0 110.986 -175.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.527 1.531 . . . . 0.0 110.984 174.282 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.3 m . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.7 m -137.06 150.35 47.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.055 1.342 . . . . 0.0 110.207 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -93.13 117.46 30.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.657 1.183 . . . . 0.0 110.239 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.01 92.32 3.56 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.818 1.247 . . . . 0.0 109.732 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.35 -68.87 0.9 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 126.087 1.803 . . . . 0.0 113.174 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -144.34 7.86 1.35 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.431 1.492 . . . . 0.0 113.98 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -130.38 160.31 34.39 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.688 1.131 . . . . 0.0 112.539 172.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.7 tp -99.42 131.49 45.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 169.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 m -125.57 115.28 19.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.642 0.777 . . . . 0.0 109.323 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 124.884 1.274 . . . . 0.0 112.355 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.7 m . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 111.345 0.128 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 t -140.86 160.53 39.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.207 1.003 . . . . 0.0 113.084 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.57 130.12 34.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.119 1.368 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -131.28 92.67 3.23 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.108 1.763 . . . . 0.0 110.493 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.62 -72.48 0.65 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.605 1.097 . . . . 0.0 112.896 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.06 -2.11 2.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 113.408 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -121.36 166.14 14.51 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 112.023 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.67 121.17 41.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.027 2.131 . . . . 0.0 108.809 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -116.47 146.34 42.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.031 . . . . 0.0 108.779 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 CA--C 1.537 0.454 0 C-N-CA 124.137 0.975 . . . . 0.0 111.371 177.314 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 CA--C 1.54 0.594 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -132.45 162.94 29.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.2 172.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -104.38 141.85 35.6 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.587 1.955 . . . . 0.0 112.438 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -140.92 97.56 3.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.86 1.664 . . . . 0.0 111.333 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.08 -69.98 0.45 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.23 1.395 . . . . 0.0 114.46 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.01 7.94 2.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.453 1.501 . . . . 0.0 113.5 173.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -132.76 164.12 27.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.961 1.704 . . . . 0.0 111.404 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.65 144.08 44.43 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.799 2.04 . . . . 0.0 110.156 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -135.05 131.28 36.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.561 1.144 . . . . 0.0 108.503 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 123.504 0.722 . . . . 0.0 111.417 -179.178 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.6 m . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.519 0.199 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -132.49 166.09 22.83 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.691 1.996 . . . . 0.0 110.932 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -105.67 148.51 27.31 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.919 1.688 . . . . 0.0 111.655 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.85 34.82 3.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.285 2.234 . . . . 0.0 108.899 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.8 -70.22 2.92 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.702 1.62 . . . . 0.0 111.047 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -17.18 18.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.234 1.414 . . . . 0.0 113.245 -171.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 164.13 25.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.058 2.143 . . . . 0.0 111.192 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tt -122.34 138.11 54.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.953 2.101 . . . . 0.0 111.379 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 p -133.77 150.0 51.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.874 1.27 . . . . 0.0 111.73 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 124.331 1.052 . . . . 0.0 112.107 -177.006 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.745 0.307 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -137.63 131.15 31.13 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.705 2.002 . . . . 0.0 109.844 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -82.08 121.13 26.18 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.059 0.943 . . . . 0.0 110.344 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.68 77.53 1.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.55 -105.24 1.39 Allowed Glycine 0 CA--C 1.529 0.944 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.049 -169.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -103.1 -0.21 30.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.89 1.276 . . . . 0.0 113.334 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -115.89 138.3 51.3 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.086 2.155 . . . . 0.0 108.878 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -94.18 135.94 35.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.709 0.804 . . . . 0.0 110.377 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -130.64 145.41 51.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.674 0.789 . . . . 0.0 109.773 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 CA--C 1.534 0.346 0 O-C-N 121.525 -0.735 . . . . 0.0 112.399 -172.024 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.356 0.598 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -137.77 176.17 8.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.921 2.488 . . . . 0.0 110.863 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -124.91 138.31 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.522 1.929 . . . . 0.0 112.111 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -131.74 83.51 2.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.01 2.524 . . . . 0.0 109.109 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.41 0.38 Allowed Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.989 2.233 . . . . 0.0 117.378 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.81 8.87 1.93 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.81 2.044 . . . . 0.0 110.767 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -130.67 157.39 42.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.897 2.079 . . . . 0.0 110.628 -175.531 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.57 137.1 52.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.466 2.306 . . . . 0.0 108.158 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.5 m -128.89 145.87 51.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.032 0.933 . . . . 0.0 110.619 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 125.38 1.472 . . . . 0.0 111.992 -176.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.473 0.177 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -135.97 146.86 47.69 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -83.17 100.33 10.49 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 122.184 0.993 . . . . 0.0 109.372 169.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.15 86.24 2.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.595 1.958 . . . . 0.0 109.965 -170.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.05 -62.28 0.98 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.337 1.923 . . . . 0.0 114.213 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.69 13.2 1.04 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.149 1.78 . . . . 0.0 112.496 174.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -130.98 159.64 36.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.632 1.973 . . . . 0.0 110.159 -169.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.7 98.66 7.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.864 0.865 . . . . 0.0 108.704 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 m -110.91 130.52 55.56 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.052 0.941 . . . . 0.0 109.799 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 64.3 m . . . . . 0 CA--C 1.531 0.216 0 C-N-CA 123.555 0.742 . . . . 0.0 111.415 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 p -141.18 134.77 30.03 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.887 2.075 . . . . 0.0 111.173 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -81.83 146.03 30.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.527 0.731 . . . . 0.0 111.629 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -139.17 78.68 1.68 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.166 1.786 . . . . 0.0 110.091 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.64 -78.79 0.18 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.353 1.454 . . . . 0.0 113.571 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.33 -3.61 10.49 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 128.584 2.753 . . . . 0.0 110.721 -169.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -136.67 172.85 12.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.841 1.656 . . . . 0.0 112.003 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 tp -126.59 139.19 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 127.961 2.504 . . . . 0.0 107.727 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.06 146.55 50.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.345 173.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.049 2.139 . . . . 0.0 110.54 174.569 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.537 0.449 0 CA-C-O 120.472 0.177 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.1 m -124.01 125.52 44.69 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 127.185 2.194 . . . . 0.0 110.647 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -84.42 136.16 33.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.004 1.322 . . . . 0.0 111.266 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.33 71.6 1.08 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.502 1.521 . . . . 0.0 109.646 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.57 -46.14 0.86 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.073 1.797 . . . . 0.0 115.09 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.45 -19.7 0.69 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.139 1.776 . . . . 0.0 112.945 174.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.73 147.44 27.25 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.735 1.214 . . . . 0.0 110.592 -173.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.55 128.99 54.56 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.1 1.36 . . . . 0.0 109.262 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -124.43 145.06 49.71 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.325 1.45 . . . . 0.0 108.718 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 N--CA 1.467 0.423 0 CA-C-N 119.947 1.249 . . . . 0.0 112.393 179.211 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.639 0.257 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.415 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.4 p -140.7 131.7 26.16 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.714 2.006 . . . . 0.0 112.237 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -85.49 144.48 27.93 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 168.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -108.03 21.78 16.9 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.375 1.47 . . . . 0.0 110.496 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.0 -88.66 0.85 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 126.582 2.039 . . . . 0.0 108.306 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -93.42 6.48 48.01 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -141.0 148.92 41.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 110.167 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 3' ' ' THR . 23.9 tp -115.14 135.58 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.722 1.209 . . . . 0.0 110.867 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.78 115.94 23.57 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 127.041 2.136 . . . . 0.0 109.258 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 123.501 0.72 . . . . 0.0 110.0 173.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m -139.65 136.47 34.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.683 1.993 . . . . 0.0 110.319 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -90.09 117.52 28.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.502 1.521 . . . . 0.0 108.727 170.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -141.78 144.56 34.03 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.792 0.806 . . . . 0.0 112.57 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.25 -80.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.496 1.522 . . . . 0.0 112.767 -174.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.36 -1.82 0.8 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.666 1.986 . . . . 0.0 112.715 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.57 170.59 15.29 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.729 1.612 . . . . 0.0 112.552 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.9 tp -104.5 123.1 46.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.652 1.981 . . . . 0.0 108.218 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -113.68 121.48 44.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.375 1.47 . . . . 0.0 108.295 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.243 175.715 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.66 131.57 54.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.942 0.897 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 t -139.21 174.47 10.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.837 1.255 . . . . 0.0 110.845 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -101.39 142.64 32.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.608 0.763 . . . . 0.0 111.759 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.63 98.31 4.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.308 2.243 . . . . 0.0 109.214 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 -78.89 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.326 0.965 . . . . 0.0 110.864 -171.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -149.46 17.17 0.92 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.882 2.073 . . . . 0.0 112.924 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.44 149.97 31.83 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.09 1.356 . . . . 0.0 110.71 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -81.53 131.06 35.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 169.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.6 m -129.83 138.08 50.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.435 0.694 . . . . 0.0 110.021 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.5 m -119.08 153.99 33.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.571 1.148 . . . . 0.0 111.537 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 120.633 -1.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.5 m -138.23 128.96 26.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.637 1.575 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -139.92 -173.82 3.75 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 110.147 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.38 155.65 16.88 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.032 -1.043 . . . . 0.0 112.339 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -134.09 82.72 1.99 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.396 1.479 . . . . 0.0 108.901 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.23 -84.18 0.02 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.97 1.748 . . . . 0.0 112.741 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.5 4.52 11.15 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.64 2.376 . . . . 0.0 112.739 -170.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -132.45 154.51 49.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.824 1.25 . . . . 0.0 111.411 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -82.06 141.28 33.31 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.3 m -136.5 126.72 26.37 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.28 1.432 . . . . 0.0 109.754 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.99 160.87 30.57 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.0 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 121.42 -0.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m -122.16 132.34 54.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.076 1.351 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -141.06 174.18 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.015 1.726 . . . . 0.0 112.514 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.13 148.59 28.43 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.761 -1.212 . . . . 0.0 111.456 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -135.99 94.44 3.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.529 1.531 . . . . 0.0 109.256 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.53 -67.71 0.17 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 126.94 2.209 . . . . 0.0 114.298 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.25 5.34 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.867 1.667 . . . . 0.0 113.953 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -124.62 169.53 11.84 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.992 1.717 . . . . 0.0 111.811 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -89.0 143.46 26.84 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.86 157.22 46.86 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.817 0.847 . . . . 0.0 111.467 175.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.8 m -129.51 126.36 38.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.332 1.053 . . . . 0.0 110.83 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 121.317 -0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.3 m -117.05 145.46 43.71 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.83 1.652 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 m -141.94 144.66 33.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.819 1.648 . . . . 0.0 110.392 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -89.76 133.42 34.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.435 1.094 . . . . 0.0 110.908 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -118.95 75.67 1.05 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.046 2.539 . . . . 0.0 106.867 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.05 -60.25 0.03 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 128.436 2.922 . . . . 0.0 115.901 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 11.27 1.63 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.328 1.851 . . . . 0.0 112.79 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 157.13 47.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.421 1.888 . . . . 0.0 109.803 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.8 tp -107.42 137.7 44.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.862 1.265 . . . . 0.0 110.014 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -128.05 147.47 50.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.4 1.48 . . . . 0.0 109.5 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -136.46 157.54 46.55 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.826 0.739 . . . . 0.0 110.755 173.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 121.485 -0.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.5 m -119.86 153.86 35.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.353 1.073 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 p -140.51 148.03 40.45 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.154 2.181 . . . . 0.0 110.192 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -98.69 107.96 20.53 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.7 1.2 . . . . 0.0 108.646 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -103.31 105.42 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.703 1.201 . . . . 0.0 108.792 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.96 -74.9 0.25 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.158 1.361 . . . . 0.0 113.393 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -148.15 17.87 1.08 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.352 1.461 . . . . 0.0 113.487 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 158.14 44.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.493 1.117 . . . . 0.0 112.38 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -88.08 114.23 24.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.141 0.976 . . . . 0.0 111.028 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 m -108.15 129.7 55.16 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 109.505 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -118.55 142.99 47.07 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.371 0.669 . . . . 0.0 111.481 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 121.705 -0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.5 m -126.95 149.01 50.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.189 0.996 . . . . 0.0 112.186 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.7 m -135.2 132.39 37.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.467 2.307 . . . . 0.0 108.79 -173.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -78.59 126.52 30.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.41 0.624 . . . . 0.0 111.304 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.4 71.7 0.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.864 2.066 . . . . 0.0 107.365 171.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 62.1 -90.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.624 1.583 . . . . 0.0 111.88 -171.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.1 -2.95 14.84 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.683 1.993 . . . . 0.0 111.693 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -109.66 156.42 20.25 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.681 1.993 . . . . 0.0 110.17 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.31 138.69 46.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.943 0.897 . . . . 0.0 108.986 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -127.19 130.53 49.87 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.468 1.507 . . . . 0.0 107.829 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -129.21 150.72 50.47 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 118.728 0.694 . . . . 0.0 111.412 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 121.67 -0.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.5 m -129.69 134.94 47.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.464 1.506 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -138.03 176.01 9.08 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.619 1.568 . . . . 0.0 112.013 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -113.61 150.05 33.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.824 1.649 . . . . 0.0 111.325 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.86 85.12 2.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.614 1.965 . . . . 0.0 108.793 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.28 -74.28 0.14 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.752 1.644 . . . . 0.0 113.562 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -136.23 8.03 3.16 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.805 2.442 . . . . 0.0 112.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -121.76 150.97 41.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.827 2.451 . . . . 0.0 109.989 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -121.76 128.89 52.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.36 2.264 . . . . 0.0 108.64 -174.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.4 p -138.23 154.18 49.1 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.452 0.569 . . . . 0.0 112.452 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.4 m -126.69 140.28 52.52 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.709 -0.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.0 m -134.08 143.06 47.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.101 1.36 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -140.3 130.72 25.33 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.006 1.723 . . . . 0.0 110.252 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.77 146.69 32.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.259 1.028 . . . . 0.0 110.855 169.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -130.74 70.66 1.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 129.308 3.043 . . . . 0.0 107.011 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.51 -109.29 1.89 Allowed Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.167 -0.958 . . . . 0.0 110.973 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 2.8 53.22 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.403 1.102 . . . . 0.0 113.57 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -113.54 148.08 36.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.298 2.239 . . . . 0.0 109.418 -175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -116.05 146.44 42.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.004 0.921 . . . . 0.0 110.652 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -136.57 126.1 25.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.227 1.011 . . . . 0.0 110.32 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.9 m -140.2 151.29 45.09 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.638 1.175 . . . . 0.0 109.685 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.205 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -130.29 156.2 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.855 0.836 . . . . 0.0 113.158 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -135.93 167.78 20.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.619 2.368 . . . . 0.0 110.28 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -116.82 118.38 32.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.62 1.568 . . . . 0.0 108.766 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -125.34 101.29 6.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.884 1.274 . . . . 0.0 109.593 -170.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.69 -87.48 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.964 1.269 . . . . 0.0 112.232 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.64 27.21 1.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.226 1.41 . . . . 0.0 112.4 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -132.26 146.23 51.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.798 1.639 . . . . 0.0 109.031 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -86.64 133.02 33.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.035 0.934 . . . . 0.0 109.136 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.73 98.11 5.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.126 1.77 . . . . 0.0 110.986 -175.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.7 m -98.72 54.47 1.03 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.527 1.531 . . . . 0.0 110.984 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 120.537 -1.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.3 m -123.43 142.61 50.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.349 1.06 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.7 m -137.06 150.35 47.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.055 1.342 . . . . 0.0 110.207 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -93.13 117.46 30.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.657 1.183 . . . . 0.0 110.239 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.01 92.32 3.56 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.818 1.247 . . . . 0.0 109.732 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.35 -68.87 0.9 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 126.087 1.803 . . . . 0.0 113.174 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -144.34 7.86 1.35 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.431 1.492 . . . . 0.0 113.98 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -130.38 160.31 34.39 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.688 1.131 . . . . 0.0 112.539 172.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.7 tp -99.42 131.49 45.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 169.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 m -125.57 115.28 19.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.642 0.777 . . . . 0.0 109.323 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.56 166.07 11.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.884 1.274 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.844 -1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.7 m -130.32 143.66 50.91 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.52 1.128 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 t -140.86 160.53 39.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.207 1.003 . . . . 0.0 113.084 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.57 130.12 34.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.119 1.368 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -131.28 92.67 3.23 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.108 1.763 . . . . 0.0 110.493 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.62 -72.48 0.65 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.605 1.097 . . . . 0.0 112.896 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.06 -2.11 2.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 113.408 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -121.36 166.14 14.51 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 112.023 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.67 121.17 41.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.027 2.131 . . . . 0.0 108.809 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -116.47 146.34 42.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.031 . . . . 0.0 108.779 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -121.54 159.44 26.37 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.137 0.975 . . . . 0.0 111.371 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.246 -0.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.4 m -112.59 145.79 39.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.237 1.415 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -132.45 162.94 29.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.2 172.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -104.38 141.85 35.6 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.587 1.955 . . . . 0.0 112.438 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -140.92 97.56 3.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.86 1.664 . . . . 0.0 111.333 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.08 -69.98 0.45 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.23 1.395 . . . . 0.0 114.46 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.01 7.94 2.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.453 1.501 . . . . 0.0 113.5 173.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -132.76 164.12 27.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.961 1.704 . . . . 0.0 111.404 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.65 144.08 44.43 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.799 2.04 . . . . 0.0 110.156 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -135.05 131.28 36.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.561 1.144 . . . . 0.0 108.503 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m -123.27 142.75 50.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.504 0.722 . . . . 0.0 111.417 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 O-C-N 121.494 -0.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.6 m -126.5 151.65 47.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.741 0.817 . . . . 0.0 111.367 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -132.49 166.09 22.83 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.691 1.996 . . . . 0.0 110.932 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -105.67 148.51 27.31 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.919 1.688 . . . . 0.0 111.655 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.85 34.82 3.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.285 2.234 . . . . 0.0 108.899 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.8 -70.22 2.92 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.702 1.62 . . . . 0.0 111.047 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -17.18 18.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.234 1.414 . . . . 0.0 113.245 -171.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 164.13 25.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.058 2.143 . . . . 0.0 111.192 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tt -122.34 138.11 54.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.953 2.101 . . . . 0.0 111.379 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 p -133.77 150.0 51.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.874 1.27 . . . . 0.0 111.73 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m -117.62 158.49 24.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.331 1.052 . . . . 0.0 112.107 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.8 m -123.19 146.95 47.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.026 0.93 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -137.63 131.15 31.13 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.705 2.002 . . . . 0.0 109.844 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -82.08 121.13 26.18 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.059 0.943 . . . . 0.0 110.344 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.68 77.53 1.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.55 -105.24 1.39 Allowed Glycine 0 CA--C 1.529 0.944 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.049 -169.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -103.1 -0.21 30.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.89 1.276 . . . . 0.0 113.334 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -115.89 138.3 51.3 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.086 2.155 . . . . 0.0 108.878 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -94.18 135.94 35.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.709 0.804 . . . . 0.0 110.377 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -130.64 145.41 51.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.674 0.789 . . . . 0.0 109.773 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -140.89 155.63 46.26 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.525 -0.735 . . . . 0.0 112.399 -172.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 O-C-N 121.456 -0.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m -132.33 160.81 35.21 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.345 1.058 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -137.77 176.17 8.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.921 2.488 . . . . 0.0 110.863 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -124.91 138.31 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.522 1.929 . . . . 0.0 112.111 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -131.74 83.51 2.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.01 2.524 . . . . 0.0 109.109 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.41 0.38 Allowed Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.989 2.233 . . . . 0.0 117.378 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.81 8.87 1.93 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.81 2.044 . . . . 0.0 110.767 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -130.67 157.39 42.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.897 2.079 . . . . 0.0 110.628 -175.531 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.57 137.1 52.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.466 2.306 . . . . 0.0 108.158 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.5 m -128.89 145.87 51.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.032 0.933 . . . . 0.0 110.619 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -129.79 157.89 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.38 1.472 . . . . 0.0 111.992 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 121.462 -0.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -125.2 152.2 44.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.137 0.575 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -135.97 146.86 47.69 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -83.17 100.33 10.49 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 122.184 0.993 . . . . 0.0 109.372 169.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.15 86.24 2.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.595 1.958 . . . . 0.0 109.965 -170.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.05 -62.28 0.98 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.337 1.923 . . . . 0.0 114.213 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.69 13.2 1.04 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.149 1.78 . . . . 0.0 112.496 174.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -130.98 159.64 36.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.632 1.973 . . . . 0.0 110.159 -169.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.7 98.66 7.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.864 0.865 . . . . 0.0 108.704 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 m -110.91 130.52 55.56 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.052 0.941 . . . . 0.0 109.799 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 64.3 m -104.5 150.87 24.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.555 0.742 . . . . 0.0 111.415 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.305 -0.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m -132.33 144.33 50.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.736 0.815 . . . . 0.0 113.133 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 p -141.18 134.77 30.03 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.887 2.075 . . . . 0.0 111.173 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -81.83 146.03 30.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.527 0.731 . . . . 0.0 111.629 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -139.17 78.68 1.68 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.166 1.786 . . . . 0.0 110.091 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.64 -78.79 0.18 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.353 1.454 . . . . 0.0 113.571 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.33 -3.61 10.49 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 128.584 2.753 . . . . 0.0 110.721 -169.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -136.67 172.85 12.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.841 1.656 . . . . 0.0 112.003 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 tp -126.59 139.19 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 127.961 2.504 . . . . 0.0 107.727 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.06 146.55 50.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.345 173.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.8 m -125.24 23.2 7.7 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.049 2.139 . . . . 0.0 110.54 174.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.7 m -117.21 135.31 53.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.601 1.16 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.1 m -124.01 125.52 44.69 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 127.185 2.194 . . . . 0.0 110.647 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -84.42 136.16 33.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.004 1.322 . . . . 0.0 111.266 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.33 71.6 1.08 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.502 1.521 . . . . 0.0 109.646 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.57 -46.14 0.86 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.073 1.797 . . . . 0.0 115.09 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.45 -19.7 0.69 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.139 1.776 . . . . 0.0 112.945 174.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.73 147.44 27.25 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.735 1.214 . . . . 0.0 110.592 -173.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.55 128.99 54.56 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.1 1.36 . . . . 0.0 109.262 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -124.43 145.06 49.71 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.325 1.45 . . . . 0.0 108.718 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m -140.41 160.33 40.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.947 1.249 . . . . 0.0 112.393 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 121.691 -0.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.42 151.62 45.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.454 1.102 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.415 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.4 p -140.7 131.7 26.16 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.714 2.006 . . . . 0.0 112.237 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -85.49 144.48 27.93 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 168.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -108.03 21.78 16.9 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.375 1.47 . . . . 0.0 110.496 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.0 -88.66 0.85 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 126.582 2.039 . . . . 0.0 108.306 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -93.42 6.48 48.01 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -141.0 148.92 41.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 110.167 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 3' ' ' THR . 23.9 tp -115.14 135.58 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.722 1.209 . . . . 0.0 110.867 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.78 115.94 23.57 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 127.041 2.136 . . . . 0.0 109.258 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.5 m -108.07 141.78 39.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.501 0.72 . . . . 0.0 110.0 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 O-C-N 121.347 -0.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.16 139.67 49.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.753 1.221 . . . . 0.0 111.826 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m -139.65 136.47 34.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.683 1.993 . . . . 0.0 110.319 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -90.09 117.52 28.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.502 1.521 . . . . 0.0 108.727 170.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -141.78 144.56 34.03 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.792 0.806 . . . . 0.0 112.57 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.25 -80.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.496 1.522 . . . . 0.0 112.767 -174.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.36 -1.82 0.8 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.666 1.986 . . . . 0.0 112.715 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.57 170.59 15.29 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.729 1.612 . . . . 0.0 112.552 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.9 tp -104.5 123.1 46.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.652 1.981 . . . . 0.0 108.218 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -113.68 121.48 44.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.375 1.47 . . . . 0.0 108.295 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.76 104.53 10.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.243 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.0 m . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 t -139.21 174.47 10.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.837 1.255 . . . . 0.0 110.845 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -101.39 142.64 32.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.608 0.763 . . . . 0.0 111.759 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.63 98.31 4.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.308 2.243 . . . . 0.0 109.214 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 -78.89 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.326 0.965 . . . . 0.0 110.864 -171.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -149.46 17.17 0.92 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.882 2.073 . . . . 0.0 112.924 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.44 149.97 31.83 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.09 1.356 . . . . 0.0 110.71 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -81.53 131.06 35.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 169.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.6 m -129.83 138.08 50.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.435 0.694 . . . . 0.0 110.021 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.5 m . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 124.571 1.148 . . . . 0.0 111.537 -177.274 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -139.92 -173.82 3.75 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 110.147 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.38 155.65 16.88 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.032 -1.043 . . . . 0.0 112.339 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -134.09 82.72 1.99 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.396 1.479 . . . . 0.0 108.901 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.23 -84.18 0.02 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.97 1.748 . . . . 0.0 112.741 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.5 4.52 11.15 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.64 2.376 . . . . 0.0 112.739 -170.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -132.45 154.51 49.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.824 1.25 . . . . 0.0 111.411 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -82.06 141.28 33.31 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.3 m -136.5 126.72 26.37 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.28 1.432 . . . . 0.0 109.754 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.0 179.145 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 110.802 -0.073 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -141.06 174.18 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.015 1.726 . . . . 0.0 112.514 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.13 148.59 28.43 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.761 -1.212 . . . . 0.0 111.456 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -135.99 94.44 3.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.529 1.531 . . . . 0.0 109.256 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.53 -67.71 0.17 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 126.94 2.209 . . . . 0.0 114.298 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.25 5.34 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.867 1.667 . . . . 0.0 113.953 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -124.62 169.53 11.84 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.992 1.717 . . . . 0.0 111.811 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -89.0 143.46 26.84 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.86 157.22 46.86 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.817 0.847 . . . . 0.0 111.467 175.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 124.332 1.053 . . . . 0.0 110.83 179.093 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 m -141.94 144.66 33.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.819 1.648 . . . . 0.0 110.392 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -89.76 133.42 34.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.435 1.094 . . . . 0.0 110.908 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -118.95 75.67 1.05 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.046 2.539 . . . . 0.0 106.867 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.05 -60.25 0.03 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 128.436 2.922 . . . . 0.0 115.901 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 11.27 1.63 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.328 1.851 . . . . 0.0 112.79 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 157.13 47.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.421 1.888 . . . . 0.0 109.803 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.8 tp -107.42 137.7 44.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.862 1.265 . . . . 0.0 110.014 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -128.05 147.47 50.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.4 1.48 . . . . 0.0 109.5 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 118.826 0.739 . . . . 0.0 110.755 173.596 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 122.353 1.073 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 p -140.51 148.03 40.45 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.154 2.181 . . . . 0.0 110.192 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -98.69 107.96 20.53 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.7 1.2 . . . . 0.0 108.646 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -103.31 105.42 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.703 1.201 . . . . 0.0 108.792 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.96 -74.9 0.25 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.158 1.361 . . . . 0.0 113.393 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -148.15 17.87 1.08 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.352 1.461 . . . . 0.0 113.487 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 158.14 44.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.493 1.117 . . . . 0.0 112.38 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -88.08 114.23 24.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.141 0.976 . . . . 0.0 111.028 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 m -108.15 129.7 55.16 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 109.505 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 C--N 1.32 -0.704 0 C-N-CA 123.371 0.669 . . . . 0.0 111.481 179.439 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.7 m -135.2 132.39 37.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.467 2.307 . . . . 0.0 108.79 -173.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -78.59 126.52 30.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.41 0.624 . . . . 0.0 111.304 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.4 71.7 0.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.864 2.066 . . . . 0.0 107.365 171.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 62.1 -90.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.624 1.583 . . . . 0.0 111.88 -171.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.1 -2.95 14.84 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.683 1.993 . . . . 0.0 111.693 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -109.66 156.42 20.25 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.681 1.993 . . . . 0.0 110.17 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.31 138.69 46.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.943 0.897 . . . . 0.0 108.986 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -127.19 130.53 49.87 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.468 1.507 . . . . 0.0 107.829 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 118.728 0.694 . . . . 0.0 111.412 -175.353 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.758 -0.09 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -138.03 176.01 9.08 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.619 1.568 . . . . 0.0 112.013 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -113.61 150.05 33.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.824 1.649 . . . . 0.0 111.325 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.86 85.12 2.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.614 1.965 . . . . 0.0 108.793 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.28 -74.28 0.14 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.752 1.644 . . . . 0.0 113.562 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -136.23 8.03 3.16 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.805 2.442 . . . . 0.0 112.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -121.76 150.97 41.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.827 2.451 . . . . 0.0 109.989 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -121.76 128.89 52.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.36 2.264 . . . . 0.0 108.64 -174.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.4 p -138.23 154.18 49.1 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.452 0.569 . . . . 0.0 112.452 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.014 178.779 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.0 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -140.3 130.72 25.33 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.006 1.723 . . . . 0.0 110.252 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.77 146.69 32.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.259 1.028 . . . . 0.0 110.855 169.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -130.74 70.66 1.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 129.308 3.043 . . . . 0.0 107.011 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.51 -109.29 1.89 Allowed Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.167 -0.958 . . . . 0.0 110.973 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 2.8 53.22 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.403 1.102 . . . . 0.0 113.57 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -113.54 148.08 36.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.298 2.239 . . . . 0.0 109.418 -175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -116.05 146.44 42.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.004 0.921 . . . . 0.0 110.652 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -136.57 126.1 25.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.227 1.011 . . . . 0.0 110.32 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.9 m . . . . . 0 CA--C 1.535 0.386 0 C-N-CA 124.638 1.175 . . . . 0.0 109.685 -176.194 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 121.855 0.836 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -135.93 167.78 20.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.619 2.368 . . . . 0.0 110.28 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -116.82 118.38 32.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.62 1.568 . . . . 0.0 108.766 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -125.34 101.29 6.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.884 1.274 . . . . 0.0 109.593 -170.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.69 -87.48 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.964 1.269 . . . . 0.0 112.232 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.64 27.21 1.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.226 1.41 . . . . 0.0 112.4 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -132.26 146.23 51.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.798 1.639 . . . . 0.0 109.031 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -86.64 133.02 33.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.035 0.934 . . . . 0.0 109.136 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.73 98.11 5.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.126 1.77 . . . . 0.0 110.986 -175.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 125.527 1.531 . . . . 0.0 110.984 174.282 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.3 m . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.7 m -137.06 150.35 47.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.055 1.342 . . . . 0.0 110.207 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -93.13 117.46 30.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.657 1.183 . . . . 0.0 110.239 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.01 92.32 3.56 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.818 1.247 . . . . 0.0 109.732 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.35 -68.87 0.9 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 126.087 1.803 . . . . 0.0 113.174 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -144.34 7.86 1.35 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.431 1.492 . . . . 0.0 113.98 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -130.38 160.31 34.39 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.688 1.131 . . . . 0.0 112.539 172.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.7 tp -99.42 131.49 45.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 169.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 m -125.57 115.28 19.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.642 0.777 . . . . 0.0 109.323 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 124.884 1.274 . . . . 0.0 112.355 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.7 m . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 111.345 0.128 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 t -140.86 160.53 39.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.207 1.003 . . . . 0.0 113.084 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.57 130.12 34.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.119 1.368 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -131.28 92.67 3.23 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.108 1.763 . . . . 0.0 110.493 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.62 -72.48 0.65 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.605 1.097 . . . . 0.0 112.896 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.06 -2.11 2.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 113.408 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -121.36 166.14 14.51 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 112.023 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.67 121.17 41.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.027 2.131 . . . . 0.0 108.809 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -116.47 146.34 42.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.031 . . . . 0.0 108.779 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 CA--C 1.537 0.454 0 C-N-CA 124.137 0.975 . . . . 0.0 111.371 177.314 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 CA--C 1.54 0.594 0 CA-C-O 119.75 -0.167 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -132.45 162.94 29.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.2 172.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -104.38 141.85 35.6 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.587 1.955 . . . . 0.0 112.438 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -140.92 97.56 3.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.86 1.664 . . . . 0.0 111.333 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.08 -69.98 0.45 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.23 1.395 . . . . 0.0 114.46 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.01 7.94 2.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.453 1.501 . . . . 0.0 113.5 173.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -132.76 164.12 27.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.961 1.704 . . . . 0.0 111.404 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.65 144.08 44.43 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.799 2.04 . . . . 0.0 110.156 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -135.05 131.28 36.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.561 1.144 . . . . 0.0 108.503 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 123.504 0.722 . . . . 0.0 111.417 -179.178 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.6 m . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.519 0.199 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -132.49 166.09 22.83 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.691 1.996 . . . . 0.0 110.932 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -105.67 148.51 27.31 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.919 1.688 . . . . 0.0 111.655 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.85 34.82 3.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.285 2.234 . . . . 0.0 108.899 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.8 -70.22 2.92 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.702 1.62 . . . . 0.0 111.047 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -17.18 18.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.234 1.414 . . . . 0.0 113.245 -171.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 164.13 25.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.058 2.143 . . . . 0.0 111.192 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tt -122.34 138.11 54.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.953 2.101 . . . . 0.0 111.379 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 p -133.77 150.0 51.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.874 1.27 . . . . 0.0 111.73 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 124.331 1.052 . . . . 0.0 112.107 -177.006 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.745 0.307 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -137.63 131.15 31.13 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.705 2.002 . . . . 0.0 109.844 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -82.08 121.13 26.18 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.059 0.943 . . . . 0.0 110.344 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.68 77.53 1.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.55 -105.24 1.39 Allowed Glycine 0 CA--C 1.529 0.944 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.049 -169.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -103.1 -0.21 30.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.89 1.276 . . . . 0.0 113.334 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -115.89 138.3 51.3 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.086 2.155 . . . . 0.0 108.878 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -94.18 135.94 35.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.709 0.804 . . . . 0.0 110.377 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -130.64 145.41 51.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.674 0.789 . . . . 0.0 109.773 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 CA--C 1.534 0.346 0 O-C-N 121.525 -0.735 . . . . 0.0 112.399 -172.024 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.356 0.598 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -137.77 176.17 8.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.921 2.488 . . . . 0.0 110.863 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -124.91 138.31 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.522 1.929 . . . . 0.0 112.111 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -131.74 83.51 2.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.01 2.524 . . . . 0.0 109.109 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.41 0.38 Allowed Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.989 2.233 . . . . 0.0 117.378 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.81 8.87 1.93 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.81 2.044 . . . . 0.0 110.767 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -130.67 157.39 42.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.897 2.079 . . . . 0.0 110.628 -175.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.57 137.1 52.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.466 2.306 . . . . 0.0 108.158 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.5 m -128.89 145.87 51.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.032 0.933 . . . . 0.0 110.619 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 125.38 1.472 . . . . 0.0 111.992 -176.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.473 0.177 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -135.97 146.86 47.69 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -83.17 100.33 10.49 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 122.184 0.993 . . . . 0.0 109.372 169.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.15 86.24 2.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.595 1.958 . . . . 0.0 109.965 -170.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.05 -62.28 0.98 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.337 1.923 . . . . 0.0 114.213 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.69 13.2 1.04 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.149 1.78 . . . . 0.0 112.496 174.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -130.98 159.64 36.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.632 1.973 . . . . 0.0 110.159 -169.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.7 98.66 7.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.864 0.865 . . . . 0.0 108.704 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 m -110.91 130.52 55.56 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.052 0.941 . . . . 0.0 109.799 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 64.3 m . . . . . 0 CA--C 1.531 0.216 0 C-N-CA 123.555 0.742 . . . . 0.0 111.415 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 p -141.18 134.77 30.03 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.887 2.075 . . . . 0.0 111.173 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -81.83 146.03 30.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.527 0.731 . . . . 0.0 111.629 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -139.17 78.68 1.68 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.166 1.786 . . . . 0.0 110.091 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.64 -78.79 0.18 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.353 1.454 . . . . 0.0 113.571 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.33 -3.61 10.49 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 128.584 2.753 . . . . 0.0 110.721 -169.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -136.67 172.85 12.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.841 1.656 . . . . 0.0 112.003 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 tp -126.59 139.19 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 127.961 2.504 . . . . 0.0 107.727 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.06 146.55 50.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.345 173.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.049 2.139 . . . . 0.0 110.54 174.569 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.537 0.449 0 CA-C-O 120.472 0.177 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.1 m -124.01 125.52 44.69 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 127.185 2.194 . . . . 0.0 110.647 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -84.42 136.16 33.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.004 1.322 . . . . 0.0 111.266 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.33 71.6 1.08 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.502 1.521 . . . . 0.0 109.646 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.57 -46.14 0.86 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.073 1.797 . . . . 0.0 115.09 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.45 -19.7 0.69 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.139 1.776 . . . . 0.0 112.945 174.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.73 147.44 27.25 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.735 1.214 . . . . 0.0 110.592 -173.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.55 128.99 54.56 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.1 1.36 . . . . 0.0 109.262 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -124.43 145.06 49.71 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.325 1.45 . . . . 0.0 108.718 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 N--CA 1.467 0.423 0 CA-C-N 119.947 1.249 . . . . 0.0 112.393 179.211 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.639 0.257 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.415 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.4 p -140.7 131.7 26.16 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.714 2.006 . . . . 0.0 112.237 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -85.49 144.48 27.93 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 168.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -108.03 21.78 16.9 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.375 1.47 . . . . 0.0 110.496 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.0 -88.66 0.85 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 126.582 2.039 . . . . 0.0 108.306 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -93.42 6.48 48.01 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -141.0 148.92 41.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 110.167 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 3' ' ' THR . 23.9 tp -115.14 135.58 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.722 1.209 . . . . 0.0 110.867 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.78 115.94 23.57 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 127.041 2.136 . . . . 0.0 109.258 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 123.501 0.72 . . . . 0.0 110.0 173.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m -139.65 136.47 34.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.683 1.993 . . . . 0.0 110.319 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -90.09 117.52 28.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.502 1.521 . . . . 0.0 108.727 170.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -141.78 144.56 34.03 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.792 0.806 . . . . 0.0 112.57 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.25 -80.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.496 1.522 . . . . 0.0 112.767 -174.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.36 -1.82 0.8 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.666 1.986 . . . . 0.0 112.715 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.57 170.59 15.29 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.729 1.612 . . . . 0.0 112.552 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.9 tp -104.5 123.1 46.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.652 1.981 . . . . 0.0 108.218 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -113.68 121.48 44.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.375 1.47 . . . . 0.0 108.295 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.243 175.715 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.66 131.57 54.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.942 0.897 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 t -139.21 174.47 10.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.837 1.255 . . . . 0.0 110.845 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -101.39 142.64 32.49 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.608 0.763 . . . . 0.0 111.759 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.63 98.31 4.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.308 2.243 . . . . 0.0 109.214 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 -78.89 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.326 0.965 . . . . 0.0 110.864 -171.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -149.46 17.17 0.92 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.882 2.073 . . . . 0.0 112.924 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.44 149.97 31.83 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.09 1.356 . . . . 0.0 110.71 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -81.53 131.06 35.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 169.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.6 m -129.83 138.08 50.81 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.435 0.694 . . . . 0.0 110.021 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.5 m -119.08 153.99 33.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.571 1.148 . . . . 0.0 111.537 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 120.633 -1.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.5 m -138.23 128.96 26.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.637 1.575 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 t -139.92 -173.82 3.75 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 110.147 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -94.38 155.65 16.88 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.032 -1.043 . . . . 0.0 112.339 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -134.09 82.72 1.99 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.396 1.479 . . . . 0.0 108.901 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.23 -84.18 0.02 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.97 1.748 . . . . 0.0 112.741 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.5 4.52 11.15 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.64 2.376 . . . . 0.0 112.739 -170.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -132.45 154.51 49.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.824 1.25 . . . . 0.0 111.411 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -82.06 141.28 33.31 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.3 m -136.5 126.72 26.37 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.28 1.432 . . . . 0.0 109.754 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.99 160.87 30.57 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.0 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 121.42 -0.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m -122.16 132.34 54.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.076 1.351 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 t -141.06 174.18 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.015 1.726 . . . . 0.0 112.514 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.13 148.59 28.43 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.761 -1.212 . . . . 0.0 111.456 171.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -135.99 94.44 3.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.529 1.531 . . . . 0.0 109.256 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.53 -67.71 0.17 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 126.94 2.209 . . . . 0.0 114.298 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.25 5.34 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.867 1.667 . . . . 0.0 113.953 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -124.62 169.53 11.84 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.992 1.717 . . . . 0.0 111.811 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -89.0 143.46 26.84 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.86 157.22 46.86 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.817 0.847 . . . . 0.0 111.467 175.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.8 m -129.51 126.36 38.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.332 1.053 . . . . 0.0 110.83 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 121.317 -0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.3 m -117.05 145.46 43.71 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.83 1.652 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 m -141.94 144.66 33.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.819 1.648 . . . . 0.0 110.392 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -89.76 133.42 34.71 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.435 1.094 . . . . 0.0 110.908 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -118.95 75.67 1.05 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.046 2.539 . . . . 0.0 106.867 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.05 -60.25 0.03 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 128.436 2.922 . . . . 0.0 115.901 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 11.27 1.63 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.328 1.851 . . . . 0.0 112.79 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 157.13 47.69 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.421 1.888 . . . . 0.0 109.803 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.8 tp -107.42 137.7 44.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.862 1.265 . . . . 0.0 110.014 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -128.05 147.47 50.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.4 1.48 . . . . 0.0 109.5 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -136.46 157.54 46.55 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.826 0.739 . . . . 0.0 110.755 173.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 121.485 -0.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.5 m -119.86 153.86 35.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 122.353 1.073 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 p -140.51 148.03 40.45 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 127.154 2.181 . . . . 0.0 110.192 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -98.69 107.96 20.53 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.7 1.2 . . . . 0.0 108.646 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -103.31 105.42 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.703 1.201 . . . . 0.0 108.792 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.96 -74.9 0.25 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.158 1.361 . . . . 0.0 113.393 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -148.15 17.87 1.08 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.352 1.461 . . . . 0.0 113.487 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 158.14 44.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.493 1.117 . . . . 0.0 112.38 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -88.08 114.23 24.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.141 0.976 . . . . 0.0 111.028 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 m -108.15 129.7 55.16 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 109.505 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -118.55 142.99 47.07 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.371 0.669 . . . . 0.0 111.481 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 121.705 -0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.5 m -126.95 149.01 50.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.189 0.996 . . . . 0.0 112.186 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.7 m -135.2 132.39 37.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.467 2.307 . . . . 0.0 108.79 -173.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -78.59 126.52 30.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.41 0.624 . . . . 0.0 111.304 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.4 71.7 0.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.864 2.066 . . . . 0.0 107.365 171.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 62.1 -90.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.624 1.583 . . . . 0.0 111.88 -171.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.1 -2.95 14.84 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.683 1.993 . . . . 0.0 111.693 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -109.66 156.42 20.25 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.681 1.993 . . . . 0.0 110.17 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.31 138.69 46.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.943 0.897 . . . . 0.0 108.986 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -127.19 130.53 49.87 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.468 1.507 . . . . 0.0 107.829 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -129.21 150.72 50.47 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 118.728 0.694 . . . . 0.0 111.412 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 121.67 -0.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.5 m -129.69 134.94 47.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.464 1.506 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -138.03 176.01 9.08 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.619 1.568 . . . . 0.0 112.013 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -113.61 150.05 33.67 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.824 1.649 . . . . 0.0 111.325 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.86 85.12 2.05 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.614 1.965 . . . . 0.0 108.793 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.28 -74.28 0.14 Allowed Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.752 1.644 . . . . 0.0 113.562 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -136.23 8.03 3.16 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.805 2.442 . . . . 0.0 112.981 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -121.76 150.97 41.07 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.827 2.451 . . . . 0.0 109.989 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -121.76 128.89 52.24 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 127.36 2.264 . . . . 0.0 108.64 -174.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.4 p -138.23 154.18 49.1 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.452 0.569 . . . . 0.0 112.452 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.4 m -126.69 140.28 52.52 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.014 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.709 -0.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.0 m -134.08 143.06 47.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.101 1.36 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -140.3 130.72 25.33 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.006 1.723 . . . . 0.0 110.252 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.77 146.69 32.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.259 1.028 . . . . 0.0 110.855 169.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -130.74 70.66 1.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 129.308 3.043 . . . . 0.0 107.011 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.51 -109.29 1.89 Allowed Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.167 -0.958 . . . . 0.0 110.973 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 2.8 53.22 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 118.403 1.102 . . . . 0.0 113.57 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -113.54 148.08 36.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.298 2.239 . . . . 0.0 109.418 -175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -116.05 146.44 42.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.004 0.921 . . . . 0.0 110.652 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -136.57 126.1 25.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.227 1.011 . . . . 0.0 110.32 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.9 m -140.2 151.29 45.09 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.638 1.175 . . . . 0.0 109.685 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.205 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -130.29 156.2 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.855 0.836 . . . . 0.0 113.158 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.9 p -135.93 167.78 20.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.619 2.368 . . . . 0.0 110.28 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -116.82 118.38 32.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.62 1.568 . . . . 0.0 108.766 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -125.34 101.29 6.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.884 1.274 . . . . 0.0 109.593 -170.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.69 -87.48 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.964 1.269 . . . . 0.0 112.232 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.64 27.21 1.7 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.226 1.41 . . . . 0.0 112.4 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -132.26 146.23 51.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.798 1.639 . . . . 0.0 109.031 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -86.64 133.02 33.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.035 0.934 . . . . 0.0 109.136 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.73 98.11 5.95 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.126 1.77 . . . . 0.0 110.986 -175.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.7 m -98.72 54.47 1.03 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.527 1.531 . . . . 0.0 110.984 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 120.537 -1.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.3 m -123.43 142.61 50.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.349 1.06 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.7 m -137.06 150.35 47.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.055 1.342 . . . . 0.0 110.207 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -93.13 117.46 30.09 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.657 1.183 . . . . 0.0 110.239 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -126.01 92.32 3.56 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.818 1.247 . . . . 0.0 109.732 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.35 -68.87 0.9 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 126.087 1.803 . . . . 0.0 113.174 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -144.34 7.86 1.35 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.431 1.492 . . . . 0.0 113.98 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -130.38 160.31 34.39 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.688 1.131 . . . . 0.0 112.539 172.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.7 tp -99.42 131.49 45.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 169.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 m -125.57 115.28 19.93 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.642 0.777 . . . . 0.0 109.323 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -100.56 166.07 11.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.884 1.274 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.844 -1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.7 m -130.32 143.66 50.91 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.52 1.128 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 t -140.86 160.53 39.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.207 1.003 . . . . 0.0 113.084 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.57 130.12 34.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.119 1.368 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -131.28 92.67 3.23 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.108 1.763 . . . . 0.0 110.493 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.62 -72.48 0.65 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.605 1.097 . . . . 0.0 112.896 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.06 -2.11 2.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 113.408 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -121.36 166.14 14.51 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.432 1.093 . . . . 0.0 112.023 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.67 121.17 41.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.027 2.131 . . . . 0.0 108.809 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -116.47 146.34 42.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.031 . . . . 0.0 108.779 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -121.54 159.44 26.37 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.137 0.975 . . . . 0.0 111.371 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.246 -0.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.4 m -112.59 145.79 39.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.237 1.415 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -132.45 162.94 29.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.2 172.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -104.38 141.85 35.6 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.587 1.955 . . . . 0.0 112.438 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -140.92 97.56 3.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.86 1.664 . . . . 0.0 111.333 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.08 -69.98 0.45 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.23 1.395 . . . . 0.0 114.46 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.01 7.94 2.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.453 1.501 . . . . 0.0 113.5 173.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -132.76 164.12 27.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.961 1.704 . . . . 0.0 111.404 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.65 144.08 44.43 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.799 2.04 . . . . 0.0 110.156 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -135.05 131.28 36.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.561 1.144 . . . . 0.0 108.503 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m -123.27 142.75 50.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.504 0.722 . . . . 0.0 111.417 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 O-C-N 121.494 -0.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.6 m -126.5 151.65 47.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.741 0.817 . . . . 0.0 111.367 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -132.49 166.09 22.83 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.691 1.996 . . . . 0.0 110.932 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -105.67 148.51 27.31 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.919 1.688 . . . . 0.0 111.655 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.85 34.82 3.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.285 2.234 . . . . 0.0 108.899 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.8 -70.22 2.92 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.702 1.62 . . . . 0.0 111.047 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -17.18 18.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.234 1.414 . . . . 0.0 113.245 -171.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.26 164.13 25.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.058 2.143 . . . . 0.0 111.192 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tt -122.34 138.11 54.63 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.953 2.101 . . . . 0.0 111.379 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 p -133.77 150.0 51.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.874 1.27 . . . . 0.0 111.73 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m -117.62 158.49 24.54 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.331 1.052 . . . . 0.0 112.107 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.8 m -123.19 146.95 47.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.026 0.93 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -137.63 131.15 31.13 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.705 2.002 . . . . 0.0 109.844 -175.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -82.08 121.13 26.18 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.059 0.943 . . . . 0.0 110.344 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.68 77.53 1.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.55 -105.24 1.39 Allowed Glycine 0 CA--C 1.529 0.944 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.049 -169.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -103.1 -0.21 30.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.89 1.276 . . . . 0.0 113.334 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -115.89 138.3 51.3 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.086 2.155 . . . . 0.0 108.878 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -94.18 135.94 35.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.709 0.804 . . . . 0.0 110.377 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.9 p -130.64 145.41 51.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.674 0.789 . . . . 0.0 109.773 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.7 m -140.89 155.63 46.26 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.525 -0.735 . . . . 0.0 112.399 -172.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 O-C-N 121.456 -0.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.3 m -132.33 160.81 35.21 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.345 1.058 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -137.77 176.17 8.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.921 2.488 . . . . 0.0 110.863 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -124.91 138.31 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.522 1.929 . . . . 0.0 112.111 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -131.74 83.51 2.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.01 2.524 . . . . 0.0 109.109 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.41 0.38 Allowed Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.989 2.233 . . . . 0.0 117.378 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.81 8.87 1.93 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 126.81 2.044 . . . . 0.0 110.767 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -130.67 157.39 42.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.897 2.079 . . . . 0.0 110.628 -175.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.57 137.1 52.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.466 2.306 . . . . 0.0 108.158 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.5 m -128.89 145.87 51.1 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.032 0.933 . . . . 0.0 110.619 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m -129.79 157.89 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.38 1.472 . . . . 0.0 111.992 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 121.462 -0.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -125.2 152.2 44.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.137 0.575 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -135.97 146.86 47.69 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -83.17 100.33 10.49 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 122.184 0.993 . . . . 0.0 109.372 169.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.15 86.24 2.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.595 1.958 . . . . 0.0 109.965 -170.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.05 -62.28 0.98 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.337 1.923 . . . . 0.0 114.213 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.69 13.2 1.04 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.149 1.78 . . . . 0.0 112.496 174.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -130.98 159.64 36.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.632 1.973 . . . . 0.0 110.159 -169.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.7 98.66 7.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.864 0.865 . . . . 0.0 108.704 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 m -110.91 130.52 55.56 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.052 0.941 . . . . 0.0 109.799 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 64.3 m -104.5 150.87 24.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.555 0.742 . . . . 0.0 111.415 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.305 -0.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m -132.33 144.33 50.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.736 0.815 . . . . 0.0 113.133 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 p -141.18 134.77 30.03 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.887 2.075 . . . . 0.0 111.173 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -81.83 146.03 30.09 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.527 0.731 . . . . 0.0 111.629 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -139.17 78.68 1.68 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.166 1.786 . . . . 0.0 110.091 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.64 -78.79 0.18 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.353 1.454 . . . . 0.0 113.571 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.33 -3.61 10.49 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 128.584 2.753 . . . . 0.0 110.721 -169.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -136.67 172.85 12.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.841 1.656 . . . . 0.0 112.003 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.8 tp -126.59 139.19 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 127.961 2.504 . . . . 0.0 107.727 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.06 146.55 50.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.345 173.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.8 m -125.24 23.2 7.7 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.049 2.139 . . . . 0.0 110.54 174.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.7 m -117.21 135.31 53.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.601 1.16 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.1 m -124.01 125.52 44.69 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 127.185 2.194 . . . . 0.0 110.647 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -84.42 136.16 33.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.004 1.322 . . . . 0.0 111.266 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.33 71.6 1.08 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.502 1.521 . . . . 0.0 109.646 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.57 -46.14 0.86 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.073 1.797 . . . . 0.0 115.09 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.45 -19.7 0.69 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.139 1.776 . . . . 0.0 112.945 174.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.73 147.44 27.25 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.735 1.214 . . . . 0.0 110.592 -173.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.55 128.99 54.56 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.1 1.36 . . . . 0.0 109.262 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -124.43 145.06 49.71 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.325 1.45 . . . . 0.0 108.718 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m -140.41 160.33 40.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.947 1.249 . . . . 0.0 112.393 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 121.691 -0.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.42 151.62 45.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.454 1.102 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.415 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.4 p -140.7 131.7 26.16 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.714 2.006 . . . . 0.0 112.237 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -85.49 144.48 27.93 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 168.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -108.03 21.78 16.9 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.375 1.47 . . . . 0.0 110.496 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.0 -88.66 0.85 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 126.582 2.039 . . . . 0.0 108.306 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -93.42 6.48 48.01 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -141.0 148.92 41.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 110.167 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 3' ' ' THR . 23.9 tp -115.14 135.58 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.722 1.209 . . . . 0.0 110.867 176.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.78 115.94 23.57 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 127.041 2.136 . . . . 0.0 109.258 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.5 m -108.07 141.78 39.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.501 0.72 . . . . 0.0 110.0 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 O-C-N 121.347 -0.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.16 139.67 49.16 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.753 1.221 . . . . 0.0 111.826 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m -139.65 136.47 34.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.683 1.993 . . . . 0.0 110.319 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -90.09 117.52 28.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.502 1.521 . . . . 0.0 108.727 170.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -141.78 144.56 34.03 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.792 0.806 . . . . 0.0 112.57 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.25 -80.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.496 1.522 . . . . 0.0 112.767 -174.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.36 -1.82 0.8 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.666 1.986 . . . . 0.0 112.715 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.57 170.59 15.29 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.729 1.612 . . . . 0.0 112.552 -169.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.9 tp -104.5 123.1 46.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.652 1.981 . . . . 0.0 108.218 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -113.68 121.48 44.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.375 1.47 . . . . 0.0 108.295 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.76 104.53 10.67 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.243 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_