data_2nbc_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 2nbc _Structure_validation_residue.Date_analyzed 2017-01-06 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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 62.009999999999998 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 53.47 32.38 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.25 110.88 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.07 22.71 60.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 74.25 112.476 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.16 176.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 73.319999999999993 110.917 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -96.46 142.32 28.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 75.239999999999995 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -81.63 153.23 26.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.540000000000006 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -128.95 163.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 75.519999999999996 110.906 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -56.01 -41.18 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.03 -20.6 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 71.450000000000003 110.83 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -18.0 43.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 72.040000000000006 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.86 -167.98 9.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 73.409999999999997 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 m -129.38 137.81 51.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 62.109999999999999 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 t -95.94 121.8 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 75.010000000000005 110.871 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 61.43 110.922 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.78 0.324 . . . . 62.009999999999998 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 t 55.35 27.58 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.864 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.21 32.5 82.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 m -69.12 176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 73.319999999999993 110.885 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -91.24 135.11 34.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -73.03 151.66 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.540000000000006 110.915 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 110.895 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -56.03 -33.2 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.420000000000002 110.881 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -64.16 -20.13 65.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 71.450000000000003 110.911 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.03 -17.62 44.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.801 -0.714 . . . . 72.040000000000006 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.97 -167.94 31.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 73.409999999999997 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -133.15 117.71 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 62.109999999999999 110.859 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -66.61 120.43 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 75.010000000000005 110.832 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.909 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.797 0.332 . . . . 62.009999999999998 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 52.71 32.95 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 65.25 110.875 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.65 23.33 58.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 74.25 112.46 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.08 177.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 73.319999999999993 110.892 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -111.48 118.16 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.875 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -53.81 154.7 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 72.540000000000006 110.958 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -130.31 164.2 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.519999999999996 110.959 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.01 -37.17 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.809 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -65.84 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 71.450000000000003 110.907 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.12 43.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 72.040000000000006 112.523 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.1 -167.98 10.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 73.409999999999997 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.6 m -124.39 117.5 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 62.109999999999999 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -72.8 122.59 21.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.010000000000005 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 61.43 110.911 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.801 0.334 . . . . 62.009999999999998 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 52.62 32.97 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.825 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.72 21.77 51.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 74.25 112.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 73.319999999999993 110.876 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -93.44 149.28 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.843 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -86.13 158.74 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.540000000000006 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -131.5 164.95 24.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.13 77.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.420000000000002 110.856 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -61.99 -19.09 62.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 71.450000000000003 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.58 42.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 72.040000000000006 112.534 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.58 -167.99 11.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 73.409999999999997 112.491 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -120.27 132.94 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 62.109999999999999 110.867 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -91.15 88.09 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 75.010000000000005 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 61.43 110.873 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 62.009999999999998 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t 53.01 31.88 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 65.25 110.823 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.18 19.5 52.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.499 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.86 176.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 73.319999999999993 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -96.32 149.19 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -83.52 150.68 25.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 110.872 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.22 164.25 19.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.951 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -56.06 -41.76 75.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 75.420000000000002 110.82 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -62.14 -19.1 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 71.450000000000003 110.838 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.92 43.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 72.040000000000006 112.464 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.35 -167.98 13.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 73.409999999999997 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -123.06 124.16 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 62.109999999999999 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -80.29 108.3 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 75.010000000000005 110.855 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 61.43 110.864 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 62.009999999999998 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t 53.45 32.92 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.25 110.863 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.92 19.57 56.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.654 -0.784 . . . . 74.25 112.546 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 m -57.05 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 73.319999999999993 110.879 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -100.49 149.46 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.866 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -81.75 149.73 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 72.540000000000006 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -122.1 167.66 12.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 75.519999999999996 110.89 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -55.91 -44.1 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.420000000000002 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.17 -18.91 62.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.450000000000003 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.04 -17.86 43.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.798 -0.715 . . . . 72.040000000000006 112.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -167.99 6.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 73.409999999999997 112.491 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.2 121.57 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 62.109999999999999 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -80.12 131.86 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 110.83 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.902 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 62.009999999999998 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t 52.62 32.96 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 65.25 110.846 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.05 22.24 54.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 74.25 112.515 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.19 176.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 73.319999999999993 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -95.94 152.74 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -86.5 158.66 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 72.540000000000006 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.79 159.57 39.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 75.519999999999996 110.956 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -56.38 -36.0 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 75.420000000000002 110.94 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.35 -18.95 65.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 71.450000000000003 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.19 42.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 72.040000000000006 112.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.94 -167.97 24.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 73.409999999999997 112.574 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 m -122.53 147.65 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 62.109999999999999 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t -104.56 118.84 37.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 75.010000000000005 110.895 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.85 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.75 0.309 . . . . 62.009999999999998 111.135 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t 53.11 32.93 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 65.25 110.95 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.03 19.53 51.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 74.25 112.513 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 m -57.7 176.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 73.319999999999993 110.938 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -97.51 155.53 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 75.239999999999995 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -85.67 159.72 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 72.540000000000006 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.74 157.87 45.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.519999999999996 110.922 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -56.06 -40.42 73.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 75.420000000000002 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -62.06 -18.55 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.851 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.24 42.93 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.771 -0.728 . . . . 72.040000000000006 112.487 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.0 22.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 73.409999999999997 112.527 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.5 m -123.49 126.59 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 62.109999999999999 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -82.45 120.07 25.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 75.010000000000005 110.904 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 61.43 110.885 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 62.009999999999998 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t 56.24 32.74 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 65.25 110.86 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.52 20.12 58.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 74.25 112.452 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.66 177.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 73.319999999999993 110.806 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -101.62 146.76 27.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 75.239999999999995 110.825 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -83.27 155.36 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -128.94 161.31 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.519999999999996 110.814 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.98 -35.21 68.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.811 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -69.01 -18.52 64.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 71.450000000000003 110.825 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.89 43.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 72.040000000000006 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.65 -167.94 7.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 73.409999999999997 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.83 117.74 21.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 62.109999999999999 110.872 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -71.13 101.94 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 75.010000000000005 110.857 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 61.43 110.867 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.772 0.32 . . . . 62.009999999999998 111.069 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t 53.4 32.12 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.881 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.22 19.49 57.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 74.25 112.47 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.71 176.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 73.319999999999993 110.824 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -95.07 157.66 15.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.851 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -90.68 158.58 16.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.540000000000006 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -137.06 150.43 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.519999999999996 110.903 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -26.42 59.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -69.75 -18.57 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.450000000000003 110.881 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -17.11 45.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.815 -0.707 . . . . 72.040000000000006 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.15 -167.88 43.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 73.409999999999997 112.455 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.5 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 62.109999999999999 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.2 t -80.54 99.2 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 75.010000000000005 110.831 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 61.43 110.874 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 62.009999999999998 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 52.64 33.01 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.848 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.13 23.36 57.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 74.25 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -57.47 176.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 73.319999999999993 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -98.67 142.94 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.908 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -78.49 154.05 30.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.919 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -125.19 170.26 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 75.519999999999996 110.863 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -45.31 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.420000000000002 110.85 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -64.11 -18.43 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 71.450000000000003 110.827 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.13 42.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 72.040000000000006 112.464 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.21 -167.95 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 73.409999999999997 112.461 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 m -125.88 126.31 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 62.109999999999999 110.941 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -86.0 108.59 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 75.010000000000005 110.902 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 61.43 110.907 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 62.009999999999998 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 54.26 27.94 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 65.25 110.881 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.44 91.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 74.25 112.452 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.39 176.56 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 73.319999999999993 110.838 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -91.33 135.59 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.819 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -74.0 155.43 38.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.540000000000006 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -129.29 163.52 25.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.519999999999996 110.892 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -27.18 67.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.881 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.4 -18.13 60.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.450000000000003 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.0 43.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 72.040000000000006 112.517 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.59 -167.98 19.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 73.409999999999997 112.566 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -131.05 127.26 37.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 62.109999999999999 110.894 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -83.09 126.21 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.010000000000005 110.852 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 61.43 110.874 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.771 0.319 . . . . 62.009999999999998 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t 52.73 33.0 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.853 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.05 49.54 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.688 -0.768 . . . . 74.25 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 73.319999999999993 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -93.35 152.48 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.935 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -83.18 159.24 22.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.540000000000006 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -134.36 157.58 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 -56.04 -38.76 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -64.65 -17.95 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.450000000000003 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.03 43.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 72.040000000000006 112.437 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.48 -167.99 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 73.409999999999997 112.452 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -124.3 134.81 53.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 62.109999999999999 110.811 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -90.59 130.79 36.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 75.010000000000005 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 61.43 110.864 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.746 0.308 . . . . 62.009999999999998 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.42 33.03 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 65.25 110.802 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.41 19.53 53.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 74.25 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 m -56.27 177.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.346 . . . . 73.319999999999993 110.899 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -100.2 149.82 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.239999999999995 110.864 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -83.88 165.38 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.540000000000006 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -134.65 161.57 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -56.12 -36.04 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 75.420000000000002 110.87 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -68.08 -17.73 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 110.827 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -17.82 43.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 72.040000000000006 112.409 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.8 -168.03 33.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 73.409999999999997 112.515 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.97 151.03 34.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 62.109999999999999 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -113.8 88.93 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.893 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.0 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 61.43 110.843 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.755 0.312 . . . . 62.009999999999998 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t 54.62 32.79 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 65.25 110.892 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.42 56.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 74.25 112.468 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.35 176.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.319999999999993 110.876 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -102.34 148.25 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -80.28 166.65 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 72.540000000000006 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -135.43 161.38 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 75.519999999999996 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -34.07 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.420000000000002 110.841 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -69.54 -17.46 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.450000000000003 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.87 43.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.040000000000006 112.485 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.55 -167.94 37.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.823 -0.703 . . . . 73.409999999999997 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -113.83 154.83 26.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 62.109999999999999 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -116.93 94.94 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 75.010000000000005 110.809 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 61.43 110.847 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 62.009999999999998 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t 53.19 32.89 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 65.25 110.896 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 23.83 58.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 74.25 112.449 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.88 176.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 73.319999999999993 110.885 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -114.11 116.98 29.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -52.98 155.88 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 72.540000000000006 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -127.79 173.61 9.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.519999999999996 110.919 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -64.66 -34.41 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 75.420000000000002 110.837 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -69.77 -17.36 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.450000000000003 110.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.21 44.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 72.040000000000006 112.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.0 -168.01 9.98 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.705 -0.76 . . . . 73.409999999999997 112.5 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -127.03 112.72 15.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 62.109999999999999 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -70.19 128.38 36.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 75.010000000000005 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 61.43 110.93 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.801 0.334 . . . . 62.009999999999998 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 52.75 32.43 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 65.25 110.78 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.6 24.68 59.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.88 -0.676 . . . . 74.25 112.489 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.07 177.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 73.319999999999993 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -108.1 115.07 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 75.239999999999995 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -51.89 151.83 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.540000000000006 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -129.64 153.74 47.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.519999999999996 110.89 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -26.03 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.88 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -71.04 -17.47 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 71.450000000000003 110.801 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.22 -16.55 45.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 72.040000000000006 112.471 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.65 -167.98 41.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 73.409999999999997 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.6 m -125.77 116.03 20.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 62.109999999999999 110.895 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -66.79 121.44 15.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 75.010000000000005 110.851 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 61.43 110.858 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.826 0.345 . . . . 62.009999999999998 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t 53.27 32.86 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 65.25 110.861 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.66 19.59 54.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.777 -0.725 . . . . 74.25 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -56.65 176.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 73.319999999999993 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -100.68 150.32 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -84.09 153.48 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.540000000000006 110.985 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.91 156.53 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 75.519999999999996 110.855 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -21.43 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.420000000000002 110.879 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -77.6 -17.67 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 71.450000000000003 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.33 44.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 72.040000000000006 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.11 -167.97 40.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 73.409999999999997 112.46 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -122.38 125.15 45.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 62.109999999999999 110.91 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -79.88 110.16 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.863 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 61.43 110.839 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.801 0.334 . . . . 62.009999999999998 111.07 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.37 30.21 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.25 110.924 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.37 34.17 88.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.496 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.86 176.43 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 73.319999999999993 110.909 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -93.79 139.44 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.836 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -74.46 168.64 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 72.540000000000006 110.855 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -135.33 164.28 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 75.519999999999996 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -56.38 -37.8 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.420000000000002 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 71.450000000000003 110.856 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.14 -18.06 43.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 72.040000000000006 112.472 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.13 -167.96 25.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 73.409999999999997 112.484 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -117.18 151.02 37.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 62.109999999999999 110.803 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -115.84 83.06 1.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 75.010000000000005 110.805 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 61.43 110.898 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.816 0.341 . . . . 62.009999999999998 111.07 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 54.92 30.42 13.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.821 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 19.65 62.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.514 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.95 176.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 73.319999999999993 110.813 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -96.3 158.65 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 75.239999999999995 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -88.12 160.94 17.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 72.540000000000006 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -135.75 156.0 49.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.519999999999996 110.88 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -26.04 68.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -75.87 -15.04 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 71.450000000000003 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.12 44.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.040000000000006 112.503 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 -167.9 30.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 73.409999999999997 112.497 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.6 m -128.45 126.16 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 62.109999999999999 110.869 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 t -81.71 119.78 24.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.010000000000005 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 61.43 110.921 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.6 t90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.848 0.356 . . . . 73.140000000000001 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -127.68 166.61 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.895 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.69 137.33 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 62.009999999999998 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 53.47 32.38 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.25 110.88 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.07 22.71 60.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 74.25 112.476 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.16 176.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 73.319999999999993 110.917 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -96.46 142.32 28.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 75.239999999999995 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -81.63 153.23 26.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.540000000000006 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -128.95 163.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 75.519999999999996 110.906 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -56.01 -41.18 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.03 -20.6 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 71.450000000000003 110.83 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -18.0 43.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 72.040000000000006 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.86 -167.98 9.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 73.409999999999997 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 m -129.38 137.81 51.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 62.109999999999999 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 t -95.94 121.8 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 75.010000000000005 110.871 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 m -127.23 172.83 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 61.43 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.4 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 73.140000000000001 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.52 175.27 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 74.400000000000006 110.884 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.05 132.88 45.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 62.009999999999998 111.089 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 t 55.35 27.58 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.864 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.21 32.5 82.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 m -69.12 176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 73.319999999999993 110.885 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -91.24 135.11 34.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -73.03 151.66 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.540000000000006 110.915 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 110.895 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -56.03 -33.2 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.420000000000002 110.881 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -64.16 -20.13 65.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 71.450000000000003 110.911 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.03 -17.62 44.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.801 -0.714 . . . . 72.040000000000006 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.97 -167.94 31.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 73.409999999999997 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -133.15 117.71 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 62.109999999999999 110.859 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -66.61 120.43 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 75.010000000000005 110.832 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m -134.34 155.4 50.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 t90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.872 0.368 . . . . 73.140000000000001 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.99 173.29 11.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 110.865 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.86 142.22 58.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.009999999999998 111.087 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 52.71 32.95 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 65.25 110.875 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.65 23.33 58.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 74.25 112.46 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.08 177.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 73.319999999999993 110.892 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -111.48 118.16 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.875 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -53.81 154.7 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 72.540000000000006 110.958 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -130.31 164.2 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.519999999999996 110.959 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.01 -37.17 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.809 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -65.84 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 71.450000000000003 110.907 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.12 43.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 72.040000000000006 112.523 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.1 -167.98 10.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 73.409999999999997 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.6 m -124.39 117.5 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 62.109999999999999 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -72.8 122.59 21.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.010000000000005 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.18 162.58 28.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 61.43 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.1 t90 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.794 0.33 . . . . 73.140000000000001 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -137.35 162.67 32.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.851 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.72 140.45 57.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 62.009999999999998 111.109 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 52.62 32.97 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.825 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.72 21.77 51.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 74.25 112.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 73.319999999999993 110.876 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -93.44 149.28 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.843 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -86.13 158.74 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.540000000000006 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -131.5 164.95 24.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.13 77.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.420000000000002 110.856 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -61.99 -19.09 62.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 71.450000000000003 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.58 42.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 72.040000000000006 112.534 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.58 -167.99 11.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 73.409999999999997 112.491 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -120.27 132.94 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 62.109999999999999 110.867 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -91.15 88.09 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 75.010000000000005 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m -100.46 167.55 10.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 61.43 110.873 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 t90 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.807 0.337 . . . . 73.140000000000001 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.5 163.63 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.400000000000006 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.04 141.37 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 62.009999999999998 111.087 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t 53.01 31.88 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 65.25 110.823 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.18 19.5 52.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.499 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.86 176.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 73.319999999999993 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -96.32 149.19 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -83.52 150.68 25.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 110.872 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.22 164.25 19.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.951 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -56.06 -41.76 75.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 75.420000000000002 110.82 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -62.14 -19.1 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 71.450000000000003 110.838 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.92 43.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 72.040000000000006 112.464 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.35 -167.98 13.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 73.409999999999997 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -123.06 124.16 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 62.109999999999999 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -80.29 108.3 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 75.010000000000005 110.855 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.63 176.95 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 61.43 110.864 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.791 0.329 . . . . 73.140000000000001 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.89 163.35 15.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 110.907 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.23 138.01 45.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 62.009999999999998 111.133 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t 53.45 32.92 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.25 110.863 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.92 19.57 56.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.654 -0.784 . . . . 74.25 112.546 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 m -57.05 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 73.319999999999993 110.879 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -100.49 149.46 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.866 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -81.75 149.73 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 72.540000000000006 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -122.1 167.66 12.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 75.519999999999996 110.89 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -55.91 -44.1 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.420000000000002 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.17 -18.91 62.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.450000000000003 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.04 -17.86 43.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.798 -0.715 . . . . 72.040000000000006 112.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -167.99 6.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 73.409999999999997 112.491 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.2 121.57 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 62.109999999999999 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -80.12 131.86 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 110.83 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -136.32 169.83 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 73.140000000000001 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.67 165.01 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 74.400000000000006 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.93 142.02 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 62.009999999999998 111.146 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t 52.62 32.96 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 65.25 110.846 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.05 22.24 54.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 74.25 112.515 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.19 176.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 73.319999999999993 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -95.94 152.74 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -86.5 158.66 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 72.540000000000006 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.79 159.57 39.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 75.519999999999996 110.956 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -56.38 -36.0 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 75.420000000000002 110.94 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.35 -18.95 65.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 71.450000000000003 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.19 42.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 72.040000000000006 112.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.94 -167.97 24.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 73.409999999999997 112.574 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 m -122.53 147.65 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 62.109999999999999 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t -104.56 118.84 37.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 75.010000000000005 110.895 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.4 m -126.66 149.49 49.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 46.5 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.328 . . . . 73.140000000000001 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -132.91 167.64 19.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.400000000000006 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.99 141.82 57.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 62.009999999999998 111.135 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t 53.11 32.93 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 65.25 110.95 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.03 19.53 51.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 74.25 112.513 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 m -57.7 176.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 73.319999999999993 110.938 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -97.51 155.53 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 75.239999999999995 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -85.67 159.72 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 72.540000000000006 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.74 157.87 45.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.519999999999996 110.922 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -56.06 -40.42 73.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 75.420000000000002 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -62.06 -18.55 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.851 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.24 42.93 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.771 -0.728 . . . . 72.040000000000006 112.487 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.0 22.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 73.409999999999997 112.527 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.5 m -123.49 126.59 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 62.109999999999999 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -82.45 120.07 25.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 75.010000000000005 110.904 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -126.3 -177.25 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 61.43 110.885 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.6 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 73.140000000000001 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -137.67 165.81 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.400000000000006 110.935 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.03 139.41 41.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 62.009999999999998 110.993 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t 56.24 32.74 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 65.25 110.86 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.52 20.12 58.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 74.25 112.452 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.66 177.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 73.319999999999993 110.806 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -101.62 146.76 27.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 75.239999999999995 110.825 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -83.27 155.36 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -128.94 161.31 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.519999999999996 110.814 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.98 -35.21 68.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.811 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -69.01 -18.52 64.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 71.450000000000003 110.825 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.89 43.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 72.040000000000006 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.65 -167.94 7.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 73.409999999999997 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.83 117.74 21.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 62.109999999999999 110.872 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -71.13 101.94 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 75.010000000000005 110.857 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.0 m -120.61 157.34 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 61.43 110.867 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.4 ' N ' ' HZ3' ' A' ' 8' ' ' LYS . 55.1 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 73.140000000000001 110.929 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -120.82 163.87 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.400000000000006 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.04 140.76 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 62.009999999999998 111.069 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t 53.4 32.12 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.881 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.22 19.49 57.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 74.25 112.47 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.71 176.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 73.319999999999993 110.824 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -95.07 157.66 15.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.851 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HZ3' ' N ' ' A' ' 1' ' ' TRP . 21.1 mtmm -90.68 158.58 16.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.540000000000006 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -137.06 150.43 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.519999999999996 110.903 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -26.42 59.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -69.75 -18.57 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.450000000000003 110.881 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -17.11 45.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.815 -0.707 . . . . 72.040000000000006 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.15 -167.88 43.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 73.409999999999997 112.455 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.5 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 62.109999999999999 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.2 t -80.54 99.2 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 75.010000000000005 110.831 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -120.37 146.95 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 61.43 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 45.9 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 73.140000000000001 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -132.28 161.23 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.400000000000006 110.855 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.64 140.93 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 62.009999999999998 111.103 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 52.64 33.01 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.848 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.13 23.36 57.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 74.25 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -57.47 176.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 73.319999999999993 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -98.67 142.94 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.908 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -78.49 154.05 30.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.919 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -125.19 170.26 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 75.519999999999996 110.863 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -45.31 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.420000000000002 110.85 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -64.11 -18.43 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 71.450000000000003 110.827 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.13 42.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 72.040000000000006 112.464 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.21 -167.95 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 73.409999999999997 112.461 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 m -125.88 126.31 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 62.109999999999999 110.941 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -86.0 108.59 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 75.010000000000005 110.902 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.6 m -117.17 175.84 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 61.43 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.0 t90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 73.140000000000001 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.19 170.06 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 74.400000000000006 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.32 126.49 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 62.009999999999998 111.101 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 54.26 27.94 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 65.25 110.881 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.44 91.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 74.25 112.452 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.39 176.56 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 73.319999999999993 110.838 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -91.33 135.59 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.819 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -74.0 155.43 38.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.540000000000006 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -129.29 163.52 25.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.519999999999996 110.892 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -27.18 67.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.881 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.4 -18.13 60.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.450000000000003 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.0 43.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 72.040000000000006 112.517 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.59 -167.98 19.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 73.409999999999997 112.566 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -131.05 127.26 37.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 62.109999999999999 110.894 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -83.09 126.21 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.010000000000005 110.852 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 m -132.85 165.38 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 61.43 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.877 0.37 . . . . 73.140000000000001 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.87 163.37 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.400000000000006 110.907 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.04 139.25 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 62.009999999999998 111.12 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t 52.73 33.0 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.853 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.05 49.54 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.688 -0.768 . . . . 74.25 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 73.319999999999993 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -93.35 152.48 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.935 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -83.18 159.24 22.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.540000000000006 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -134.36 157.58 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 -56.04 -38.76 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -64.65 -17.95 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.450000000000003 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.03 43.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 72.040000000000006 112.437 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.48 -167.99 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 73.409999999999997 112.452 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -124.3 134.81 53.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 62.109999999999999 110.811 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -90.59 130.79 36.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 75.010000000000005 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -136.82 143.94 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 61.43 110.864 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 73.140000000000001 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.23 162.86 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.971 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 142.68 24.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 62.009999999999998 111.14 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.42 33.03 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 65.25 110.802 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.41 19.53 53.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 74.25 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 m -56.27 177.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.346 . . . . 73.319999999999993 110.899 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -100.2 149.82 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.239999999999995 110.864 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -83.88 165.38 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.540000000000006 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -134.65 161.57 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -56.12 -36.04 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 75.420000000000002 110.87 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -68.08 -17.73 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 110.827 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -17.82 43.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 72.040000000000006 112.409 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.8 -168.03 33.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 73.409999999999997 112.515 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.97 151.03 34.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 62.109999999999999 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -113.8 88.93 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.893 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.0 m -97.77 176.41 5.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 61.43 110.843 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.796 0.331 . . . . 73.140000000000001 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -136.76 162.62 32.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 110.942 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.82 140.86 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 62.009999999999998 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t 54.62 32.79 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 65.25 110.892 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.42 56.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 74.25 112.468 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.35 176.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.319999999999993 110.876 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -102.34 148.25 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -80.28 166.65 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 72.540000000000006 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -135.43 161.38 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 75.519999999999996 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -34.07 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.420000000000002 110.841 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -69.54 -17.46 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.450000000000003 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.87 43.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.040000000000006 112.485 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.55 -167.94 37.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.823 -0.703 . . . . 73.409999999999997 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -113.83 154.83 26.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 62.109999999999999 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -116.93 94.94 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 75.010000000000005 110.809 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m -105.2 159.63 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 61.43 110.847 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 t90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.327 . . . . 73.140000000000001 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.76 166.18 26.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 110.841 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.39 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 62.009999999999998 111.115 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t 53.19 32.89 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 65.25 110.896 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 23.83 58.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 74.25 112.449 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.88 176.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 73.319999999999993 110.885 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -114.11 116.98 29.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -52.98 155.88 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 72.540000000000006 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -127.79 173.61 9.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.519999999999996 110.919 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -64.66 -34.41 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 75.420000000000002 110.837 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -69.77 -17.36 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.450000000000003 110.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.21 44.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 72.040000000000006 112.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.0 -168.01 9.98 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.705 -0.76 . . . . 73.409999999999997 112.5 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -127.03 112.72 15.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 62.109999999999999 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -70.19 128.38 36.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 75.010000000000005 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -132.47 157.05 45.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 61.43 110.93 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.821 0.343 . . . . 73.140000000000001 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.13 169.86 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.898 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.86 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 62.009999999999998 111.128 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 52.75 32.43 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 65.25 110.78 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.6 24.68 59.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.88 -0.676 . . . . 74.25 112.489 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.07 177.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 73.319999999999993 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -108.1 115.07 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 75.239999999999995 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -51.89 151.83 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.540000000000006 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -129.64 153.74 47.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.519999999999996 110.89 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -26.03 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.88 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -71.04 -17.47 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 71.450000000000003 110.801 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.22 -16.55 45.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 72.040000000000006 112.471 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.65 -167.98 41.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 73.409999999999997 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.6 m -125.77 116.03 20.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 62.109999999999999 110.895 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -66.79 121.44 15.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 75.010000000000005 110.851 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.4 m -131.83 162.84 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 61.43 110.858 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 t90 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 73.140000000000001 110.915 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -118.99 162.06 19.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.400000000000006 110.864 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.24 142.36 26.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 62.009999999999998 111.134 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t 53.27 32.86 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 65.25 110.861 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.66 19.59 54.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.777 -0.725 . . . . 74.25 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -56.65 176.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 73.319999999999993 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -100.68 150.32 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -84.09 153.48 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.540000000000006 110.985 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.91 156.53 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 75.519999999999996 110.855 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -21.43 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.420000000000002 110.879 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -77.6 -17.67 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 71.450000000000003 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.33 44.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 72.040000000000006 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.11 -167.97 40.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 73.409999999999997 112.46 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -122.38 125.15 45.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 62.109999999999999 110.91 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -79.88 110.16 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.863 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.1 m -123.02 149.15 44.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 61.43 110.839 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.8 t90 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 73.140000000000001 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.8 170.75 9.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 74.400000000000006 110.923 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 136.53 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 62.009999999999998 111.07 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.37 30.21 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.25 110.924 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.37 34.17 88.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.496 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.86 176.43 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 73.319999999999993 110.909 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -93.79 139.44 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.836 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -74.46 168.64 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 72.540000000000006 110.855 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -135.33 164.28 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 75.519999999999996 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -56.38 -37.8 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.420000000000002 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 71.450000000000003 110.856 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.14 -18.06 43.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 72.040000000000006 112.472 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.13 -167.96 25.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 73.409999999999997 112.484 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -117.18 151.02 37.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 62.109999999999999 110.803 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -115.84 83.06 1.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 75.010000000000005 110.805 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m -87.53 174.05 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 61.43 110.898 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 t90 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.775 0.322 . . . . 73.140000000000001 110.951 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.08 170.95 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 74.400000000000006 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.71 139.86 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 62.009999999999998 111.07 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 54.92 30.42 13.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.821 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 19.65 62.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.514 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.95 176.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 73.319999999999993 110.813 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -96.3 158.65 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 75.239999999999995 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -88.12 160.94 17.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 72.540000000000006 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -135.75 156.0 49.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.519999999999996 110.88 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -26.04 68.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -75.87 -15.04 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 71.450000000000003 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.12 44.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.040000000000006 112.503 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 -167.9 30.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 73.409999999999997 112.497 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.6 m -128.45 126.16 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 62.109999999999999 110.869 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 t -81.71 119.78 24.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.010000000000005 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -119.13 -175.39 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 61.43 110.921 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 70.439999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 62.01 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 53.47 32.38 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.25 110.88 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.07 22.71 60.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 74.25 112.476 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.16 176.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 73.32 110.917 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -96.46 142.32 28.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 71.51 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -81.63 153.23 26.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.54 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -128.95 163.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.906 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -56.01 -41.18 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 74.55 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.03 -20.6 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.83 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -18.0 43.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 72.04 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.86 -167.98 9.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 73.41 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 m -129.38 137.81 51.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 62.11 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 t -95.94 121.8 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.871 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 45.03 110.922 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.78 0.324 . . . . 62.01 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 t 55.35 27.58 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.864 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.21 32.5 82.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 m -69.12 176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 73.32 110.885 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -91.24 135.11 34.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -73.03 151.66 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.915 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.895 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -56.03 -33.2 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.881 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -64.16 -20.13 65.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 71.45 110.911 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.03 -17.62 44.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.801 -0.714 . . . . 72.04 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.97 -167.94 31.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 73.41 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -133.15 117.71 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 62.11 110.859 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -66.61 120.43 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 62.42 110.832 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 45.03 110.909 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.797 0.332 . . . . 62.01 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 52.71 32.95 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 65.25 110.875 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.65 23.33 58.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 74.25 112.46 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.08 177.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 73.32 110.892 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -111.48 118.16 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.875 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -53.81 154.7 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 72.54 110.958 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -130.31 164.2 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.959 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.01 -37.17 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.809 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -65.84 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.907 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.12 43.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 72.04 112.523 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.1 -167.98 10.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 73.41 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.6 m -124.39 117.5 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 62.11 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -72.8 122.59 21.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 62.42 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 45.03 110.911 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.801 0.334 . . . . 62.01 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 52.62 32.97 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.825 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.72 21.77 51.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 74.25 112.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 73.32 110.876 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -93.44 149.28 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.843 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -86.13 158.74 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.54 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -131.5 164.95 24.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.13 77.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.856 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -61.99 -19.09 62.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.58 42.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 72.04 112.534 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.58 -167.99 11.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 73.41 112.491 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -120.27 132.94 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 62.11 110.867 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -91.15 88.09 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 62.42 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 45.03 110.873 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 62.01 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t 53.01 31.88 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 65.25 110.823 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.18 19.5 52.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.499 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.86 176.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 73.32 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -96.32 149.19 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -83.52 150.68 25.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.872 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.22 164.25 19.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.951 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -56.06 -41.76 75.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 74.55 110.82 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -62.14 -19.1 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.838 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.92 43.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 72.04 112.464 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.35 -167.98 13.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 73.41 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -123.06 124.16 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 62.11 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -80.29 108.3 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.42 110.855 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 45.03 110.864 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 62.01 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t 53.45 32.92 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.25 110.863 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.92 19.57 56.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.654 -0.784 . . . . 74.25 112.546 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 m -57.05 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 73.32 110.879 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -100.49 149.46 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.866 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -81.75 149.73 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -122.1 167.66 12.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.89 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -55.91 -44.1 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 74.55 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.17 -18.91 62.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.04 -17.86 43.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.798 -0.715 . . . . 72.04 112.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -167.99 6.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.491 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.2 121.57 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 62.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -80.12 131.86 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.83 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 45.03 110.902 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 62.01 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t 52.62 32.96 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 65.25 110.846 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.05 22.24 54.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 74.25 112.515 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.19 176.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 73.32 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -95.94 152.74 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -86.5 158.66 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.79 159.57 39.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.956 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -56.38 -36.0 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 74.55 110.94 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.35 -18.95 65.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.19 42.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 72.04 112.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.94 -167.97 24.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 73.41 112.574 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 m -122.53 147.65 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 62.11 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t -104.56 118.84 37.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 62.42 110.895 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 45.03 110.85 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.75 0.309 . . . . 62.01 111.135 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t 53.11 32.93 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 65.25 110.95 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.03 19.53 51.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 74.25 112.513 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 m -57.7 176.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 73.32 110.938 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -97.51 155.53 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 71.51 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -85.67 159.72 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.74 157.87 45.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.11 110.922 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -56.06 -40.42 73.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 74.55 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -62.06 -18.55 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.851 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.24 42.93 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.771 -0.728 . . . . 72.04 112.487 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.0 22.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 73.41 112.527 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.5 m -123.49 126.59 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 62.11 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -82.45 120.07 25.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 62.42 110.904 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 45.03 110.885 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 62.01 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t 56.24 32.74 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 65.25 110.86 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.52 20.12 58.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 74.25 112.452 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.66 177.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 73.32 110.806 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -101.62 146.76 27.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.51 110.825 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -83.27 155.36 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -128.94 161.31 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.814 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.98 -35.21 68.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.811 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -69.01 -18.52 64.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.825 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.89 43.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 72.04 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.65 -167.94 7.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 73.41 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.83 117.74 21.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 62.11 110.872 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -71.13 101.94 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 62.42 110.857 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 45.03 110.867 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.772 0.32 . . . . 62.01 111.069 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t 53.4 32.12 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.881 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.22 19.49 57.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 74.25 112.47 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.71 176.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 73.32 110.824 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -95.07 157.66 15.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.51 110.851 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -90.68 158.58 16.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -137.06 150.43 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.903 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -26.42 59.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -69.75 -18.57 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.881 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -17.11 45.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.815 -0.707 . . . . 72.04 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.15 -167.88 43.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 73.41 112.455 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.5 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 62.11 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.2 t -80.54 99.2 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 62.42 110.831 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 45.03 110.874 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 62.01 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 52.64 33.01 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.848 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.13 23.36 57.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 74.25 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -57.47 176.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 73.32 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -98.67 142.94 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.51 110.908 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -78.49 154.05 30.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.919 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -125.19 170.26 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 75.11 110.863 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -45.31 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 74.55 110.85 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -64.11 -18.43 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 71.45 110.827 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.13 42.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 72.04 112.464 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.21 -167.95 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 73.41 112.461 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 m -125.88 126.31 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 62.11 110.941 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -86.0 108.59 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 62.42 110.902 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 45.03 110.907 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 62.01 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 54.26 27.94 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 65.25 110.881 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.44 91.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 74.25 112.452 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.39 176.56 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 73.32 110.838 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -91.33 135.59 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.819 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -74.0 155.43 38.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -129.29 163.52 25.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.892 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -27.18 67.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.881 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.4 -18.13 60.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.0 43.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 72.04 112.517 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.59 -167.98 19.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 73.41 112.566 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -131.05 127.26 37.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 62.11 110.894 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -83.09 126.21 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 62.42 110.852 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 45.03 110.874 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.771 0.319 . . . . 62.01 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t 52.73 33.0 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.853 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.05 49.54 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.688 -0.768 . . . . 74.25 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 73.32 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -93.35 152.48 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.51 110.935 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -83.18 159.24 22.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -134.36 157.58 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 -56.04 -38.76 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.55 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -64.65 -17.95 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.45 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.03 43.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 72.04 112.437 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.48 -167.99 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 73.41 112.452 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -124.3 134.81 53.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 62.11 110.811 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -90.59 130.79 36.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 62.42 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 45.03 110.864 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.746 0.308 . . . . 62.01 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.42 33.03 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 65.25 110.802 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.41 19.53 53.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 74.25 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 m -56.27 177.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.346 . . . . 73.32 110.899 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -100.2 149.82 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.864 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -83.88 165.38 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.54 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -134.65 161.57 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -56.12 -36.04 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.55 110.87 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.08 -17.73 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.827 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -17.82 43.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 72.04 112.409 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.8 -168.03 33.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 73.41 112.515 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.97 151.03 34.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 62.11 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -113.8 88.93 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 62.42 110.893 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.0 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 45.03 110.843 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.755 0.312 . . . . 62.01 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t 54.62 32.79 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 65.25 110.892 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.42 56.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 74.25 112.468 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.35 176.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.32 110.876 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -102.34 148.25 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.51 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -80.28 166.65 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 72.54 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -135.43 161.38 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 75.11 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -34.07 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.55 110.841 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -69.54 -17.46 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.45 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.87 43.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.04 112.485 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.55 -167.94 37.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.823 -0.703 . . . . 73.41 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -113.83 154.83 26.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 62.11 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -116.93 94.94 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.809 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 45.03 110.847 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 62.01 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t 53.19 32.89 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 65.25 110.896 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 23.83 58.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 74.25 112.449 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.88 176.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 73.32 110.885 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -114.11 116.98 29.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 71.51 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -52.98 155.88 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 72.54 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -127.79 173.61 9.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.919 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -64.66 -34.41 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.837 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -69.77 -17.36 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.21 44.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 72.04 112.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.0 -168.01 9.98 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.705 -0.76 . . . . 73.41 112.5 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -127.03 112.72 15.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 62.11 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -70.19 128.38 36.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 62.42 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 45.03 110.93 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.801 0.334 . . . . 62.01 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 52.75 32.43 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 65.25 110.78 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.6 24.68 59.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.88 -0.676 . . . . 74.25 112.489 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.07 177.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 73.32 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -108.1 115.07 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 71.51 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -51.89 151.83 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -129.64 153.74 47.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.11 110.89 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -26.03 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.88 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -71.04 -17.47 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.801 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.22 -16.55 45.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 72.04 112.471 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.65 -167.98 41.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.6 m -125.77 116.03 20.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 62.11 110.895 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -66.79 121.44 15.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 62.42 110.851 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 45.03 110.858 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.826 0.345 . . . . 62.01 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t 53.27 32.86 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 65.25 110.861 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.66 19.59 54.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.777 -0.725 . . . . 74.25 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -56.65 176.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 73.32 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -100.68 150.32 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.51 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -84.09 153.48 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.985 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.91 156.53 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 75.11 110.855 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -21.43 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.879 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -77.6 -17.67 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.33 44.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 72.04 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.11 -167.97 40.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.46 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -122.38 125.15 45.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 62.11 110.91 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -79.88 110.16 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.863 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 45.03 110.839 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.801 0.334 . . . . 62.01 111.07 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.37 30.21 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.25 110.924 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.37 34.17 88.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.496 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.86 176.43 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 73.32 110.909 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -93.79 139.44 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.51 110.836 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -74.46 168.64 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.855 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -135.33 164.28 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 75.11 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -56.38 -37.8 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 71.45 110.856 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.14 -18.06 43.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 72.04 112.472 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.13 -167.96 25.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 73.41 112.484 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -117.18 151.02 37.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 62.11 110.803 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -115.84 83.06 1.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 62.42 110.805 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 45.03 110.898 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.816 0.341 . . . . 62.01 111.07 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 54.92 30.42 13.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.821 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 19.65 62.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.514 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.95 176.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 73.32 110.813 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -96.3 158.65 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 71.51 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -88.12 160.94 17.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -135.75 156.0 49.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.88 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -26.04 68.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.55 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -75.87 -15.04 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.12 44.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.04 112.503 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 -167.9 30.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 73.41 112.497 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.6 m -128.45 126.16 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 62.11 110.869 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 t -81.71 119.78 24.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.42 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 45.03 110.921 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.6 t90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.848 0.356 . . . . 63.42 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -127.68 166.61 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.895 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.69 137.33 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 62.01 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 53.47 32.38 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.25 110.88 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.07 22.71 60.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 74.25 112.476 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.16 176.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 73.32 110.917 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -96.46 142.32 28.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 71.51 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -81.63 153.23 26.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.54 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -128.95 163.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.906 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -56.01 -41.18 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 74.55 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.03 -20.6 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.83 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -18.0 43.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 72.04 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.86 -167.98 9.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 73.41 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 m -129.38 137.81 51.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 62.11 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 t -95.94 121.8 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.871 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 m -127.23 172.83 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 45.03 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.4 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 63.42 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.52 175.27 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.884 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.05 132.88 45.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 62.01 111.089 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 t 55.35 27.58 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.864 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.21 32.5 82.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 m -69.12 176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 73.32 110.885 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -91.24 135.11 34.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -73.03 151.66 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.915 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.895 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -56.03 -33.2 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.881 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -64.16 -20.13 65.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 71.45 110.911 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.03 -17.62 44.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.801 -0.714 . . . . 72.04 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.97 -167.94 31.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 73.41 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -133.15 117.71 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 62.11 110.859 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -66.61 120.43 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 62.42 110.832 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m -134.34 155.4 50.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 45.03 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 t90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.872 0.368 . . . . 63.42 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.99 173.29 11.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.4 110.865 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.86 142.22 58.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.01 111.087 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 52.71 32.95 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 65.25 110.875 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.65 23.33 58.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 74.25 112.46 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.08 177.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 73.32 110.892 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -111.48 118.16 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.875 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -53.81 154.7 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 72.54 110.958 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -130.31 164.2 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.959 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.01 -37.17 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.809 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -65.84 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.907 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.12 43.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 72.04 112.523 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.1 -167.98 10.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 73.41 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.6 m -124.39 117.5 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 62.11 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -72.8 122.59 21.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 62.42 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.18 162.58 28.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 45.03 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.1 t90 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.794 0.33 . . . . 63.42 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -137.35 162.67 32.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 74.4 110.851 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.72 140.45 57.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 62.01 111.109 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 52.62 32.97 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.825 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.72 21.77 51.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 74.25 112.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 73.32 110.876 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -93.44 149.28 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.843 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -86.13 158.74 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.54 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -131.5 164.95 24.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.13 77.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.856 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -61.99 -19.09 62.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.58 42.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 72.04 112.534 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.58 -167.99 11.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 73.41 112.491 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -120.27 132.94 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 62.11 110.867 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -91.15 88.09 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 62.42 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m -100.46 167.55 10.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 45.03 110.873 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 t90 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.807 0.337 . . . . 63.42 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.5 163.63 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.4 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.04 141.37 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 62.01 111.087 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t 53.01 31.88 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 65.25 110.823 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.18 19.5 52.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.499 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.86 176.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 73.32 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -96.32 149.19 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -83.52 150.68 25.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.872 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.22 164.25 19.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.951 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -56.06 -41.76 75.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 74.55 110.82 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -62.14 -19.1 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.838 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.92 43.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 72.04 112.464 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.35 -167.98 13.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 73.41 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -123.06 124.16 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 62.11 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -80.29 108.3 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.42 110.855 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.63 176.95 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 45.03 110.864 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.791 0.329 . . . . 63.42 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.89 163.35 15.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.907 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.23 138.01 45.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 62.01 111.133 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t 53.45 32.92 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.25 110.863 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.92 19.57 56.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.654 -0.784 . . . . 74.25 112.546 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 m -57.05 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 73.32 110.879 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -100.49 149.46 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.866 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -81.75 149.73 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -122.1 167.66 12.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.89 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -55.91 -44.1 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 74.55 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.17 -18.91 62.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.04 -17.86 43.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.798 -0.715 . . . . 72.04 112.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -167.99 6.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.491 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.2 121.57 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 62.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -80.12 131.86 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.83 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -136.32 169.83 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 45.03 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 63.42 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.67 165.01 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.93 142.02 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 62.01 111.146 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t 52.62 32.96 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 65.25 110.846 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.05 22.24 54.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 74.25 112.515 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.19 176.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 73.32 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -95.94 152.74 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -86.5 158.66 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.79 159.57 39.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.956 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -56.38 -36.0 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 74.55 110.94 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.35 -18.95 65.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.19 42.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 72.04 112.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.94 -167.97 24.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 73.41 112.574 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 m -122.53 147.65 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 62.11 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t -104.56 118.84 37.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 62.42 110.895 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.4 m -126.66 149.49 49.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 45.03 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 46.5 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.328 . . . . 63.42 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -132.91 167.64 19.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.4 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.99 141.82 57.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 62.01 111.135 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t 53.11 32.93 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 65.25 110.95 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.03 19.53 51.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 74.25 112.513 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 m -57.7 176.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 73.32 110.938 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -97.51 155.53 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 71.51 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -85.67 159.72 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.74 157.87 45.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.11 110.922 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -56.06 -40.42 73.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 74.55 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -62.06 -18.55 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.851 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.24 42.93 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.771 -0.728 . . . . 72.04 112.487 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.0 22.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 73.41 112.527 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.5 m -123.49 126.59 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 62.11 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -82.45 120.07 25.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 62.42 110.904 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -126.3 -177.25 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 45.03 110.885 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.6 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 63.42 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -137.67 165.81 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.935 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.03 139.41 41.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 62.01 110.993 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t 56.24 32.74 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 65.25 110.86 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.52 20.12 58.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 74.25 112.452 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.66 177.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 73.32 110.806 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -101.62 146.76 27.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.51 110.825 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -83.27 155.36 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -128.94 161.31 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.814 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.98 -35.21 68.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.811 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -69.01 -18.52 64.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.825 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.89 43.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 72.04 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.65 -167.94 7.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 73.41 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.83 117.74 21.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 62.11 110.872 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -71.13 101.94 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 62.42 110.857 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.0 m -120.61 157.34 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 45.03 110.867 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.1 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 63.42 110.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -120.82 163.87 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.04 140.76 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 62.01 111.069 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t 53.4 32.12 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.881 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.22 19.49 57.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 74.25 112.47 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.71 176.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 73.32 110.824 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -95.07 157.66 15.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.51 110.851 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -90.68 158.58 16.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -137.06 150.43 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.903 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -26.42 59.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -69.75 -18.57 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.881 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -17.11 45.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.815 -0.707 . . . . 72.04 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.15 -167.88 43.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 73.41 112.455 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.5 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 62.11 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.2 t -80.54 99.2 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 62.42 110.831 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -120.37 146.95 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 45.03 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 45.9 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 63.42 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -132.28 161.23 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.855 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.64 140.93 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 62.01 111.103 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 52.64 33.01 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.848 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.13 23.36 57.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 74.25 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -57.47 176.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 73.32 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -98.67 142.94 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.51 110.908 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -78.49 154.05 30.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.919 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -125.19 170.26 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 75.11 110.863 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -45.31 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 74.55 110.85 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -64.11 -18.43 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 71.45 110.827 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.13 42.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 72.04 112.464 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.21 -167.95 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 73.41 112.461 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 m -125.88 126.31 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 62.11 110.941 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -86.0 108.59 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 62.42 110.902 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.6 m -117.17 175.84 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 45.03 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.0 t90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 63.42 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.19 170.06 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 74.4 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.32 126.49 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 62.01 111.101 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 54.26 27.94 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 65.25 110.881 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.44 91.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 74.25 112.452 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.39 176.56 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 73.32 110.838 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -91.33 135.59 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.819 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -74.0 155.43 38.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -129.29 163.52 25.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.892 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -27.18 67.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.881 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.4 -18.13 60.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.0 43.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 72.04 112.517 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.59 -167.98 19.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 73.41 112.566 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -131.05 127.26 37.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 62.11 110.894 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -83.09 126.21 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 62.42 110.852 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 m -132.85 165.38 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 45.03 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.877 0.37 . . . . 63.42 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.87 163.37 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.907 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.04 139.25 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 62.01 111.12 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t 52.73 33.0 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.853 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.05 49.54 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.688 -0.768 . . . . 74.25 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 73.32 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -93.35 152.48 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.51 110.935 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -83.18 159.24 22.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -134.36 157.58 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 -56.04 -38.76 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.55 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -64.65 -17.95 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.45 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.03 43.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 72.04 112.437 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.48 -167.99 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 73.41 112.452 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -124.3 134.81 53.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 62.11 110.811 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -90.59 130.79 36.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 62.42 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -136.82 143.94 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 45.03 110.864 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 63.42 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.23 162.86 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.971 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 142.68 24.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 62.01 111.14 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.42 33.03 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 65.25 110.802 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.41 19.53 53.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 74.25 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 m -56.27 177.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.346 . . . . 73.32 110.899 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -100.2 149.82 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.864 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -83.88 165.38 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.54 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -134.65 161.57 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -56.12 -36.04 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.55 110.87 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.08 -17.73 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.827 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -17.82 43.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 72.04 112.409 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.8 -168.03 33.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 73.41 112.515 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.97 151.03 34.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 62.11 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -113.8 88.93 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 62.42 110.893 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.0 m -97.77 176.41 5.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 45.03 110.843 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.796 0.331 . . . . 63.42 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -136.76 162.62 32.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.942 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.82 140.86 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 62.01 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t 54.62 32.79 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 65.25 110.892 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.42 56.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 74.25 112.468 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.35 176.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.32 110.876 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -102.34 148.25 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.51 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -80.28 166.65 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 72.54 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -135.43 161.38 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 75.11 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -34.07 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.55 110.841 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -69.54 -17.46 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.45 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.87 43.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.04 112.485 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.55 -167.94 37.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.823 -0.703 . . . . 73.41 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -113.83 154.83 26.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 62.11 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -116.93 94.94 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.809 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m -105.2 159.63 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 45.03 110.847 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 t90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.327 . . . . 63.42 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.76 166.18 26.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.841 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.39 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 62.01 111.115 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t 53.19 32.89 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 65.25 110.896 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 23.83 58.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 74.25 112.449 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.88 176.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 73.32 110.885 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -114.11 116.98 29.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 71.51 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -52.98 155.88 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 72.54 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -127.79 173.61 9.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.919 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -64.66 -34.41 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.837 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -69.77 -17.36 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.21 44.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 72.04 112.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.0 -168.01 9.98 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.705 -0.76 . . . . 73.41 112.5 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -127.03 112.72 15.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 62.11 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -70.19 128.38 36.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 62.42 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -132.47 157.05 45.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 45.03 110.93 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.821 0.343 . . . . 63.42 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.13 169.86 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.898 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.86 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 62.01 111.128 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 52.75 32.43 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 65.25 110.78 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.6 24.68 59.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.88 -0.676 . . . . 74.25 112.489 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.07 177.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 73.32 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -108.1 115.07 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 71.51 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -51.89 151.83 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -129.64 153.74 47.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.11 110.89 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -26.03 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.88 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -71.04 -17.47 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.801 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.22 -16.55 45.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 72.04 112.471 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.65 -167.98 41.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.6 m -125.77 116.03 20.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 62.11 110.895 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -66.79 121.44 15.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 62.42 110.851 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.4 m -131.83 162.84 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 45.03 110.858 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 t90 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 63.42 110.915 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -118.99 162.06 19.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.4 110.864 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.24 142.36 26.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.134 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t 53.27 32.86 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 65.25 110.861 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.66 19.59 54.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.777 -0.725 . . . . 74.25 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -56.65 176.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 73.32 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -100.68 150.32 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.51 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -84.09 153.48 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.985 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.91 156.53 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 75.11 110.855 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -21.43 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.879 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -77.6 -17.67 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.33 44.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 72.04 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.11 -167.97 40.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.46 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -122.38 125.15 45.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 62.11 110.91 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -79.88 110.16 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.863 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.1 m -123.02 149.15 44.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 45.03 110.839 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.8 t90 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 63.42 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.8 170.75 9.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 74.4 110.923 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 136.53 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.07 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.37 30.21 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.25 110.924 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.37 34.17 88.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.496 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.86 176.43 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 73.32 110.909 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -93.79 139.44 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.51 110.836 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -74.46 168.64 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.855 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -135.33 164.28 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 75.11 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -56.38 -37.8 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 71.45 110.856 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.14 -18.06 43.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 72.04 112.472 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.13 -167.96 25.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 73.41 112.484 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -117.18 151.02 37.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 62.11 110.803 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -115.84 83.06 1.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 62.42 110.805 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m -87.53 174.05 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 45.03 110.898 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 t90 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.775 0.322 . . . . 63.42 110.951 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.08 170.95 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 74.4 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.71 139.86 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.07 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 54.92 30.42 13.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.821 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 19.65 62.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.514 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.95 176.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 73.32 110.813 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -96.3 158.65 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 71.51 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -88.12 160.94 17.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -135.75 156.0 49.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.88 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -26.04 68.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.55 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -75.87 -15.04 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.12 44.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.04 112.503 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 -167.9 30.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 73.41 112.497 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.6 m -128.45 126.16 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 62.11 110.869 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 t -81.71 119.78 24.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.42 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -119.13 -175.39 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 45.03 110.921 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 62.01 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 53.47 32.38 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.25 110.88 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.07 22.71 60.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 74.25 112.476 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.16 176.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 73.32 110.917 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -96.46 142.32 28.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 71.51 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -81.63 153.23 26.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.54 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -128.95 163.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.906 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -56.01 -41.18 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 74.55 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.03 -20.6 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.83 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -18.0 43.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 72.04 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.86 -167.98 9.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 73.41 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 m -129.38 137.81 51.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 62.11 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 t -95.94 121.8 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.871 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 45.03 110.922 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.78 0.324 . . . . 62.01 111.089 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 t 55.35 27.58 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.864 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.21 32.5 82.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 m -69.12 176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 73.32 110.885 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -91.24 135.11 34.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -73.03 151.66 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.915 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.895 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -56.03 -33.2 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.881 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -64.16 -20.13 65.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 71.45 110.911 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.03 -17.62 44.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.801 -0.714 . . . . 72.04 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.97 -167.94 31.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 73.41 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -133.15 117.71 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 62.11 110.859 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -66.61 120.43 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 62.42 110.832 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 45.03 110.909 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.797 0.332 . . . . 62.01 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 52.71 32.95 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 65.25 110.875 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.65 23.33 58.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 74.25 112.46 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.08 177.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 73.32 110.892 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -111.48 118.16 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.875 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -53.81 154.7 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 72.54 110.958 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -130.31 164.2 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.959 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.01 -37.17 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.809 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -65.84 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.907 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.12 43.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 72.04 112.523 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.1 -167.98 10.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 73.41 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.6 m -124.39 117.5 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 62.11 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -72.8 122.59 21.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 62.42 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 45.03 110.911 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.801 0.334 . . . . 62.01 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 52.62 32.97 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.825 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.72 21.77 51.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 74.25 112.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 73.32 110.876 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -93.44 149.28 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.843 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -86.13 158.74 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.54 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -131.5 164.95 24.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.13 77.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.856 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -61.99 -19.09 62.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.58 42.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 72.04 112.534 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.58 -167.99 11.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 73.41 112.491 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -120.27 132.94 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 62.11 110.867 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -91.15 88.09 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 62.42 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 45.03 110.873 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 62.01 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t 53.01 31.88 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 65.25 110.823 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.18 19.5 52.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.499 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.86 176.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 73.32 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -96.32 149.19 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -83.52 150.68 25.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.872 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.22 164.25 19.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.951 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -56.06 -41.76 75.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 74.55 110.82 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -62.14 -19.1 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.838 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.92 43.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 72.04 112.464 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.35 -167.98 13.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 73.41 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -123.06 124.16 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 62.11 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -80.29 108.3 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.42 110.855 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 45.03 110.864 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 62.01 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t 53.45 32.92 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.25 110.863 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.92 19.57 56.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.654 -0.784 . . . . 74.25 112.546 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 m -57.05 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 73.32 110.879 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -100.49 149.46 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.866 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -81.75 149.73 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -122.1 167.66 12.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.89 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -55.91 -44.1 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 74.55 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.17 -18.91 62.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.04 -17.86 43.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.798 -0.715 . . . . 72.04 112.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -167.99 6.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.491 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.2 121.57 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 62.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -80.12 131.86 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.83 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 45.03 110.902 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 62.01 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t 52.62 32.96 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 65.25 110.846 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.05 22.24 54.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 74.25 112.515 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.19 176.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 73.32 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -95.94 152.74 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -86.5 158.66 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.79 159.57 39.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.956 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -56.38 -36.0 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 74.55 110.94 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.35 -18.95 65.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.19 42.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 72.04 112.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.94 -167.97 24.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 73.41 112.574 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 m -122.53 147.65 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 62.11 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t -104.56 118.84 37.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 62.42 110.895 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 45.03 110.85 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.75 0.309 . . . . 62.01 111.135 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t 53.11 32.93 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 65.25 110.95 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.03 19.53 51.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 74.25 112.513 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 m -57.7 176.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 73.32 110.938 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -97.51 155.53 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 71.51 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -85.67 159.72 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.74 157.87 45.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.11 110.922 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -56.06 -40.42 73.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 74.55 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -62.06 -18.55 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.851 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.24 42.93 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.771 -0.728 . . . . 72.04 112.487 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.0 22.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 73.41 112.527 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.5 m -123.49 126.59 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 62.11 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -82.45 120.07 25.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 62.42 110.904 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 45.03 110.885 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 62.01 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t 56.24 32.74 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 65.25 110.86 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.52 20.12 58.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 74.25 112.452 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.66 177.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 73.32 110.806 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -101.62 146.76 27.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.51 110.825 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -83.27 155.36 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -128.94 161.31 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.814 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.98 -35.21 68.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.811 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -69.01 -18.52 64.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.825 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.89 43.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 72.04 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.65 -167.94 7.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 73.41 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.83 117.74 21.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 62.11 110.872 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -71.13 101.94 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 62.42 110.857 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 45.03 110.867 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.772 0.32 . . . . 62.01 111.069 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t 53.4 32.12 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.881 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.22 19.49 57.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 74.25 112.47 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.71 176.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 73.32 110.824 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -95.07 157.66 15.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.51 110.851 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -90.68 158.58 16.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -137.06 150.43 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.903 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -26.42 59.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -69.75 -18.57 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.881 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -17.11 45.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.815 -0.707 . . . . 72.04 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.15 -167.88 43.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 73.41 112.455 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.5 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 62.11 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.2 t -80.54 99.2 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 62.42 110.831 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 45.03 110.874 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 62.01 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 52.64 33.01 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.848 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.13 23.36 57.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 74.25 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -57.47 176.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 73.32 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -98.67 142.94 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.51 110.908 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -78.49 154.05 30.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.919 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -125.19 170.26 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 75.11 110.863 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -45.31 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 74.55 110.85 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -64.11 -18.43 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 71.45 110.827 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.13 42.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 72.04 112.464 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.21 -167.95 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 73.41 112.461 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 m -125.88 126.31 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 62.11 110.941 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -86.0 108.59 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 62.42 110.902 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 45.03 110.907 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 62.01 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 54.26 27.94 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 65.25 110.881 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.44 91.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 74.25 112.452 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.39 176.56 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 73.32 110.838 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -91.33 135.59 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.819 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -74.0 155.43 38.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -129.29 163.52 25.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.892 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -27.18 67.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.881 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.4 -18.13 60.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.0 43.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 72.04 112.517 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.59 -167.98 19.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 73.41 112.566 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -131.05 127.26 37.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 62.11 110.894 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -83.09 126.21 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 62.42 110.852 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 45.03 110.874 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.771 0.319 . . . . 62.01 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t 52.73 33.0 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.853 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.05 49.54 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.688 -0.768 . . . . 74.25 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 73.32 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -93.35 152.48 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.51 110.935 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -83.18 159.24 22.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -134.36 157.58 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 -56.04 -38.76 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.55 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -64.65 -17.95 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.45 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.03 43.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 72.04 112.437 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.48 -167.99 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 73.41 112.452 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -124.3 134.81 53.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 62.11 110.811 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -90.59 130.79 36.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 62.42 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 45.03 110.864 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.746 0.308 . . . . 62.01 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.42 33.03 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 65.25 110.802 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.41 19.53 53.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 74.25 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 m -56.27 177.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.346 . . . . 73.32 110.899 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -100.2 149.82 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.864 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -83.88 165.38 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.54 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -134.65 161.57 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -56.12 -36.04 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.55 110.87 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -68.08 -17.73 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.827 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -17.82 43.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 72.04 112.409 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.8 -168.03 33.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 73.41 112.515 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.97 151.03 34.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 62.11 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -113.8 88.93 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 62.42 110.893 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.0 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 45.03 110.843 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.755 0.312 . . . . 62.01 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t 54.62 32.79 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 65.25 110.892 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.42 56.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 74.25 112.468 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.35 176.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.32 110.876 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -102.34 148.25 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.51 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -80.28 166.65 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 72.54 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -135.43 161.38 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 75.11 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -34.07 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.55 110.841 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -69.54 -17.46 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.45 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.87 43.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.04 112.485 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.55 -167.94 37.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.823 -0.703 . . . . 73.41 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -113.83 154.83 26.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 62.11 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -116.93 94.94 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.809 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 45.03 110.847 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.8 0.333 . . . . 62.01 111.115 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t 53.19 32.89 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 65.25 110.896 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 23.83 58.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 74.25 112.449 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.88 176.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 73.32 110.885 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -114.11 116.98 29.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 71.51 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -52.98 155.88 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 72.54 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -127.79 173.61 9.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.919 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -64.66 -34.41 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.837 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -69.77 -17.36 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.21 44.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 72.04 112.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.0 -168.01 9.98 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.705 -0.76 . . . . 73.41 112.5 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -127.03 112.72 15.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 62.11 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -70.19 128.38 36.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 62.42 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 45.03 110.93 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.801 0.334 . . . . 62.01 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 52.75 32.43 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 65.25 110.78 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.6 24.68 59.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.88 -0.676 . . . . 74.25 112.489 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.07 177.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 73.32 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -108.1 115.07 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 71.51 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -51.89 151.83 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -129.64 153.74 47.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.11 110.89 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -26.03 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.88 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -71.04 -17.47 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.801 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.22 -16.55 45.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 72.04 112.471 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.65 -167.98 41.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.6 m -125.77 116.03 20.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 62.11 110.895 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -66.79 121.44 15.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 62.42 110.851 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 45.03 110.858 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.826 0.345 . . . . 62.01 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t 53.27 32.86 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 65.25 110.861 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.66 19.59 54.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.777 -0.725 . . . . 74.25 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -56.65 176.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 73.32 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -100.68 150.32 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.51 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -84.09 153.48 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.985 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.91 156.53 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 75.11 110.855 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -21.43 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.879 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -77.6 -17.67 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.33 44.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 72.04 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.11 -167.97 40.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.46 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -122.38 125.15 45.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 62.11 110.91 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -79.88 110.16 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.863 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 45.03 110.839 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.801 0.334 . . . . 62.01 111.07 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.37 30.21 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.25 110.924 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.37 34.17 88.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.496 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.86 176.43 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 73.32 110.909 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -93.79 139.44 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.51 110.836 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -74.46 168.64 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.855 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -135.33 164.28 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 75.11 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -56.38 -37.8 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 71.45 110.856 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.14 -18.06 43.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 72.04 112.472 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.13 -167.96 25.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 73.41 112.484 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -117.18 151.02 37.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 62.11 110.803 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -115.84 83.06 1.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 62.42 110.805 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 45.03 110.898 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.816 0.341 . . . . 62.01 111.07 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 54.92 30.42 13.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.821 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 19.65 62.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.514 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.95 176.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 73.32 110.813 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -96.3 158.65 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 71.51 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -88.12 160.94 17.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -135.75 156.0 49.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.88 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -26.04 68.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.55 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -75.87 -15.04 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.12 44.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.04 112.503 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 -167.9 30.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 73.41 112.497 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.6 m -128.45 126.16 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 62.11 110.869 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 t -81.71 119.78 24.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.42 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 45.03 110.921 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.6 t90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.848 0.356 . . . . 63.42 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -127.68 166.61 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.895 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.69 137.33 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 62.01 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 53.47 32.38 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.25 110.88 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.07 22.71 60.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 74.25 112.476 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.16 176.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 73.32 110.917 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -96.46 142.32 28.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 71.51 110.887 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -81.63 153.23 26.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.54 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -128.95 163.79 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.906 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -56.01 -41.18 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 74.55 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.03 -20.6 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.83 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -18.0 43.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 72.04 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.86 -167.98 9.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 73.41 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 m -129.38 137.81 51.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 62.11 110.906 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 t -95.94 121.8 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.871 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 m -127.23 172.83 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 45.03 110.922 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.4 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.823 0.344 . . . . 63.42 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -131.52 175.27 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.884 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.05 132.88 45.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 62.01 111.089 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 t 55.35 27.58 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.864 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.21 32.5 82.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 m -69.12 176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 73.32 110.885 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -91.24 135.11 34.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -73.03 151.66 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.915 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.895 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -56.03 -33.2 64.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.881 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -64.16 -20.13 65.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 71.45 110.911 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.03 -17.62 44.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.801 -0.714 . . . . 72.04 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.97 -167.94 31.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 73.41 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.1 m -133.15 117.71 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 62.11 110.859 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -66.61 120.43 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 62.42 110.832 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 m -134.34 155.4 50.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 45.03 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 t90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.872 0.368 . . . . 63.42 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.99 173.29 11.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.4 110.865 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.86 142.22 58.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.01 111.087 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 52.71 32.95 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 65.25 110.875 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.65 23.33 58.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 74.25 112.46 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.08 177.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 73.32 110.892 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -111.48 118.16 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.875 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -53.81 154.7 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 72.54 110.958 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -130.31 164.2 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.11 110.959 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.01 -37.17 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.809 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -65.84 -19.43 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.907 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.12 43.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 72.04 112.523 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.1 -167.98 10.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 73.41 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.6 m -124.39 117.5 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 62.11 110.854 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -72.8 122.59 21.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 62.42 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.5 m -130.18 162.58 28.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 45.03 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.1 t90 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.794 0.33 . . . . 63.42 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -137.35 162.67 32.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 74.4 110.851 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.72 140.45 57.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 62.01 111.109 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 52.62 32.97 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 65.25 110.825 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.72 21.77 51.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 74.25 112.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 73.32 110.876 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -93.44 149.28 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.843 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -86.13 158.74 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.54 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -131.5 164.95 24.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.13 77.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.856 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -61.99 -19.09 62.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.58 42.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 72.04 112.534 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.58 -167.99 11.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 73.41 112.491 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -120.27 132.94 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 62.11 110.867 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -91.15 88.09 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 62.42 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m -100.46 167.55 10.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 45.03 110.873 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 t90 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.807 0.337 . . . . 63.42 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.5 163.63 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.4 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.04 141.37 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 62.01 111.087 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t 53.01 31.88 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 65.25 110.823 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.18 19.5 52.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.499 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.86 176.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 73.32 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -96.32 149.19 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -83.52 150.68 25.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.872 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.22 164.25 19.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.951 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -56.06 -41.76 75.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 74.55 110.82 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -62.14 -19.1 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.838 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.92 43.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 72.04 112.464 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.35 -167.98 13.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 73.41 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -123.06 124.16 42.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 62.11 110.919 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -80.29 108.3 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.42 110.855 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.7 m -119.63 176.95 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 45.03 110.864 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.791 0.329 . . . . 63.42 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.89 163.35 15.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.907 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.23 138.01 45.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 62.01 111.133 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t 53.45 32.92 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.25 110.863 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.92 19.57 56.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.654 -0.784 . . . . 74.25 112.546 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 m -57.05 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 73.32 110.879 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -100.49 149.46 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.866 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -81.75 149.73 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -122.1 167.66 12.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.89 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -55.91 -44.1 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 74.55 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.17 -18.91 62.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.04 -17.86 43.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.798 -0.715 . . . . 72.04 112.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -167.99 6.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.491 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -124.2 121.57 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 62.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -80.12 131.86 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.83 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -136.32 169.83 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 45.03 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 63.42 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.67 165.01 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.93 142.02 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 62.01 111.146 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t 52.62 32.96 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 65.25 110.846 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.05 22.24 54.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 74.25 112.515 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.19 176.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 73.32 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -95.94 152.74 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -86.5 158.66 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.79 159.57 39.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.956 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -56.38 -36.0 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 74.55 110.94 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -66.35 -18.95 65.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.19 42.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 72.04 112.51 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.94 -167.97 24.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 73.41 112.574 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.8 m -122.53 147.65 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 62.11 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t -104.56 118.84 37.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 62.42 110.895 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.4 m -126.66 149.49 49.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 45.03 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 46.5 t90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.328 . . . . 63.42 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -132.91 167.64 19.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.4 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.99 141.82 57.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 62.01 111.135 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t 53.11 32.93 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 65.25 110.95 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.03 19.53 51.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 74.25 112.513 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 m -57.7 176.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 73.32 110.938 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -97.51 155.53 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 71.51 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -85.67 159.72 19.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 72.54 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.74 157.87 45.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.11 110.922 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -56.06 -40.42 73.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 74.55 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -62.06 -18.55 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.851 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.24 42.93 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.771 -0.728 . . . . 72.04 112.487 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.0 22.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 73.41 112.527 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.5 m -123.49 126.59 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.363 . . . . 62.11 110.864 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -82.45 120.07 25.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 62.42 110.904 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -126.3 -177.25 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 45.03 110.885 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.6 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 63.42 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -137.67 165.81 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.935 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.03 139.41 41.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 62.01 110.993 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t 56.24 32.74 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 65.25 110.86 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.52 20.12 58.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 74.25 112.452 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.66 177.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 73.32 110.806 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -101.62 146.76 27.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.51 110.825 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -83.27 155.36 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -128.94 161.31 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.814 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.98 -35.21 68.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.811 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -69.01 -18.52 64.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.825 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.89 43.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 72.04 112.503 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.65 -167.94 7.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 73.41 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.83 117.74 21.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 62.11 110.872 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -71.13 101.94 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 62.42 110.857 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.0 m -120.61 157.34 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 45.03 110.867 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.1 t90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 63.42 110.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -120.82 163.87 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.901 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.04 140.76 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 62.01 111.069 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t 53.4 32.12 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.881 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.22 19.49 57.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 74.25 112.47 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.6 m -56.71 176.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 73.32 110.824 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -95.07 157.66 15.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.51 110.851 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -90.68 158.58 16.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -137.06 150.43 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.903 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -26.42 59.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -69.75 -18.57 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.881 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 -17.11 45.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.815 -0.707 . . . . 72.04 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.15 -167.88 43.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 73.41 112.455 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.5 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 62.11 110.888 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.2 t -80.54 99.2 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 62.42 110.831 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -120.37 146.95 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 45.03 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 45.9 t90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 63.42 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -132.28 161.23 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.855 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.64 140.93 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 62.01 111.103 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 52.64 33.01 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 65.25 110.848 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.13 23.36 57.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 74.25 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.9 m -57.47 176.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 73.32 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -98.67 142.94 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.51 110.908 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -78.49 154.05 30.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.919 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -125.19 170.26 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 75.11 110.863 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -45.31 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 74.55 110.85 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -64.11 -18.43 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 71.45 110.827 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.18 -18.13 42.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 72.04 112.464 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.21 -167.95 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 73.41 112.461 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 m -125.88 126.31 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 62.11 110.941 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -86.0 108.59 18.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 62.42 110.902 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.6 m -117.17 175.84 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 45.03 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.0 t90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 63.42 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.19 170.06 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 74.4 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.32 126.49 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 62.01 111.101 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 54.26 27.94 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 65.25 110.881 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.44 91.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 74.25 112.452 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.39 176.56 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 73.32 110.838 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -91.33 135.59 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.819 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -74.0 155.43 38.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.913 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -129.29 163.52 25.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.892 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -27.18 67.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.55 110.881 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.4 -18.13 60.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.06 -18.0 43.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 72.04 112.517 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.59 -167.98 19.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 73.41 112.566 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 m -131.05 127.26 37.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 62.11 110.894 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -83.09 126.21 32.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 62.42 110.852 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 m -132.85 165.38 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 45.03 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.877 0.37 . . . . 63.42 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -136.87 163.37 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.907 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.04 139.25 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 62.01 111.12 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t 52.73 33.0 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.853 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.05 49.54 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.688 -0.768 . . . . 74.25 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -56.08 176.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 73.32 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -93.35 152.48 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.51 110.935 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -83.18 159.24 22.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -134.36 157.58 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 -56.04 -38.76 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.55 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -64.65 -17.95 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.45 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -18.03 43.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 72.04 112.437 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.48 -167.99 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 73.41 112.452 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -124.3 134.81 53.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 62.11 110.811 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -90.59 130.79 36.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 62.42 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -136.82 143.94 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 45.03 110.864 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.4 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 63.42 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.23 162.86 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.971 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 142.68 24.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 62.01 111.14 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.42 33.03 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 65.25 110.802 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.41 19.53 53.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 74.25 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 m -56.27 177.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.346 . . . . 73.32 110.899 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -100.2 149.82 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.864 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -83.88 165.38 18.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.54 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -134.65 161.57 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -56.12 -36.04 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.55 110.87 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -68.08 -17.73 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.827 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -17.82 43.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 72.04 112.409 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.8 -168.03 33.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 73.41 112.515 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.97 151.03 34.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.372 . . . . 62.11 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -113.8 88.93 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 62.42 110.893 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.0 m -97.77 176.41 5.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 45.03 110.843 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.796 0.331 . . . . 63.42 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -136.76 162.62 32.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.942 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.82 140.86 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 62.01 111.133 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 t 54.62 32.79 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 65.25 110.892 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.42 56.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 74.25 112.468 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.35 176.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 73.32 110.876 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -102.34 148.25 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.51 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -80.28 166.65 21.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 72.54 110.977 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -135.43 161.38 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.408 . . . . 75.11 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -34.07 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.55 110.841 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -69.54 -17.46 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.45 110.882 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.87 43.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 72.04 112.485 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.55 -167.94 37.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.823 -0.703 . . . . 73.41 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -113.83 154.83 26.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 62.11 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -116.93 94.94 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.809 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m -105.2 159.63 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 45.03 110.847 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 t90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.327 . . . . 63.42 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.76 166.18 26.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.841 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.39 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 62.01 111.115 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t 53.19 32.89 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 65.25 110.896 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 23.83 58.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 74.25 112.449 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.88 176.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 73.32 110.885 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -114.11 116.98 29.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 71.51 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -52.98 155.88 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 72.54 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -127.79 173.61 9.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.919 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -64.66 -34.41 78.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.837 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -69.77 -17.36 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.21 44.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 72.04 112.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.0 -168.01 9.98 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.705 -0.76 . . . . 73.41 112.5 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -127.03 112.72 15.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 62.11 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -70.19 128.38 36.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 62.42 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -132.47 157.05 45.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 45.03 110.93 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.821 0.343 . . . . 63.42 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.13 169.86 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.898 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.86 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 62.01 111.128 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 52.75 32.43 12.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 65.25 110.78 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.6 24.68 59.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.88 -0.676 . . . . 74.25 112.489 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.07 177.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 73.32 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -108.1 115.07 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 71.51 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -51.89 151.83 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -129.64 153.74 47.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.11 110.89 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -26.03 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.88 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -71.04 -17.47 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.801 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.22 -16.55 45.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 72.04 112.471 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.65 -167.98 41.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.504 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.6 m -125.77 116.03 20.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 62.11 110.895 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -66.79 121.44 15.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 62.42 110.851 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.4 m -131.83 162.84 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 45.03 110.858 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.5 t90 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 63.42 110.915 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -118.99 162.06 19.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.4 110.864 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.24 142.36 26.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.134 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t 53.27 32.86 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 65.25 110.861 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.66 19.59 54.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.777 -0.725 . . . . 74.25 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -56.65 176.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 73.32 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -100.68 150.32 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.51 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -84.09 153.48 23.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.985 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.91 156.53 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 75.11 110.855 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -21.43 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.879 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -77.6 -17.67 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.16 -17.33 44.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 72.04 112.464 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.11 -167.97 40.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 73.41 112.46 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -122.38 125.15 45.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 62.11 110.91 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -79.88 110.16 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.863 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.1 m -123.02 149.15 44.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 45.03 110.839 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.8 t90 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 63.42 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.8 170.75 9.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 74.4 110.923 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 136.53 57.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.07 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.37 30.21 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.25 110.924 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.37 34.17 88.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.496 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.86 176.43 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 73.32 110.909 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -93.79 139.44 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.51 110.836 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -74.46 168.64 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.855 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -135.33 164.28 28.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 75.11 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -56.38 -37.8 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.55 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 71.45 110.856 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.14 -18.06 43.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 72.04 112.472 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.13 -167.96 25.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 73.41 112.484 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -117.18 151.02 37.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 62.11 110.803 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -115.84 83.06 1.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 62.42 110.805 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 m -87.53 174.05 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 45.03 110.898 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 32.22 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 t90 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.775 0.322 . . . . 63.42 110.951 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.08 170.95 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 74.4 110.859 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.71 139.86 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.07 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 t 54.92 30.42 13.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.821 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 19.65 62.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.514 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.95 176.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 73.32 110.813 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -96.3 158.65 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 71.51 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -88.12 160.94 17.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -135.75 156.0 49.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.88 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -26.04 68.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.55 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -75.87 -15.04 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.12 -17.12 44.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.04 112.503 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 -167.9 30.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 73.41 112.497 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.6 m -128.45 126.16 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 62.11 110.869 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.2 t -81.71 119.78 24.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.42 110.821 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -119.13 -175.39 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 45.03 110.921 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 32.22 . . . . . . . . . . 0 0 . 1 stop_ save_