data_2md2_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 2md2 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.6 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 72.299999999999997 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -51.24 -45.45 61.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 75.040000000000006 110.867 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.429 HD23 ' CH2' ' A' ' 1' ' ' TRP . 1.4 mp -68.96 -17.28 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.878 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -100.39 -22.92 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 110.949 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 1' ' ' TRP . 48.7 m -96.76 -20.23 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.510000000000005 110.796 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -24.88 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.61 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.350000000000001 111.146 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.943 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.427 ' CH2' HD21 ' A' ' 3' ' ' LEU . 8.5 t90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 75.129999999999995 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -42.68 62.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 71.140000000000001 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.427 HD21 ' CH2' ' A' ' 1' ' ' TRP . 2.0 mp -71.92 -16.21 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 75.530000000000001 110.894 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -101.91 -22.95 14.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 75.200000000000003 110.927 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.5 m -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -25.96 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 74.549999999999997 110.865 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.49 -20.22 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 74.349999999999994 111.106 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.150000000000006 110.901 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' SER . 7.7 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 75.420000000000002 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.29 -45.75 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 73.140000000000001 110.88 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD23 ' CH2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.73 -16.87 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 64.540000000000006 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -23.91 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' TRP . 26.3 m -95.31 -15.26 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 110.876 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -23.85 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 73.430000000000007 110.864 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.8 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.329999999999998 111.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.049999999999997 110.904 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.437 ' O ' ' N ' ' A' ' 5' ' ' SER . 7.7 t90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.861 0.362 . . . . 73.040000000000006 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -52.25 -45.68 65.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 72.329999999999998 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD22 ' CH2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.83 -16.85 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.908 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -23.94 13.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.938 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 1' ' ' TRP . 23.4 m -95.28 -15.33 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.150000000000006 110.834 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -23.7 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.864 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.94 67.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.209999999999994 111.125 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.424 ' CH2' HD21 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 74.209999999999994 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -51.76 -42.41 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.903 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' CH2' ' A' ' 1' ' ' TRP . 1.7 mp -72.63 -15.86 61.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.936 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -101.93 -22.93 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.925 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 1' ' ' TRP . 68.3 m -99.74 -20.15 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 62.32 110.864 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -26.64 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.852 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.85 -19.79 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.150000000000006 111.101 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.450000000000003 110.955 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.445 ' CH2' HD22 ' A' ' 3' ' ' LEU . 8.1 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -51.44 -47.33 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 63.020000000000003 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.445 HD22 ' CH2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -65.21 -18.14 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tt -99.71 -26.24 14.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.914 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.3 m -87.86 -25.39 23.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.821 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -21.56 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 74.120000000000005 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.24 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 62.030000000000001 111.087 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.91 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.429 ' CH2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 74.329999999999998 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -51.81 -42.45 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.299999999999997 110.854 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.429 HD22 ' CH2' ' A' ' 1' ' ' TRP . 1.7 mp -72.62 -15.84 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -101.86 -23.18 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 110.896 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 1' ' ' TRP . 66.2 m -99.5 -20.11 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 61.530000000000001 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -26.67 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.89 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.83 66.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.099 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.329999999999998 110.925 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.909 0.385 . . . . 75.129999999999995 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -46.27 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.872 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD23 ' CH2' ' A' ' 1' ' ' TRP . 1.7 mp -67.56 -17.76 64.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 62.240000000000002 110.943 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.17 -22.99 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 70.219999999999999 110.912 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' TRP . 49.2 m -95.97 -21.48 17.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 72.430000000000007 110.857 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -24.79 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -26.96 68.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.230000000000004 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.915 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.428 ' CH2' HD23 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 72.400000000000006 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -51.7 -42.45 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.428 HD23 ' CH2' ' A' ' 1' ' ' TRP . 1.8 mp -72.68 -15.77 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -102.03 -22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 73.049999999999997 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 1' ' ' TRP . 67.1 m -99.73 -20.22 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.893 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -26.67 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.310000000000002 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.64 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 111.104 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.902 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 5' ' ' SER . 7.7 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.815 0.34 . . . . 73.239999999999995 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -46.27 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.445 HD21 ' CH2' ' A' ' 1' ' ' TRP . 0.9 OUTLIER -65.9 -17.14 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 110.895 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.95 -24.06 13.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 65.319999999999993 110.917 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' TRP . 27.3 m -95.13 -15.58 23.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -23.79 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.200000000000003 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -24.8 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.150000000000006 111.068 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.450000000000003 110.965 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.6 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 72.299999999999997 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -51.24 -45.45 61.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 75.040000000000006 110.867 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.429 HD23 ' CH2' ' A' ' 1' ' ' TRP . 1.4 mp -68.96 -17.28 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.878 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -100.39 -22.92 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 110.949 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 1' ' ' TRP . 48.7 m -96.76 -20.23 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.510000000000005 110.796 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -24.88 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.61 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.350000000000001 111.146 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.48 -0.8 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.943 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.01 30.85 7.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 75.099999999999994 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.540000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.427 ' CH2' HD21 ' A' ' 3' ' ' LEU . 8.5 t90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 75.129999999999995 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -42.68 62.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 71.140000000000001 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 HD21 ' CH2' ' A' ' 1' ' ' TRP . 2.0 mp -71.92 -16.21 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 75.530000000000001 110.894 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -101.91 -22.95 14.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 75.200000000000003 110.927 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.5 m -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -25.96 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 74.549999999999997 110.865 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.49 -20.22 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 74.349999999999994 111.106 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -120.56 -5.1 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.150000000000006 110.901 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.0 31.85 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 74.540000000000006 110.865 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 5' ' ' SER . 7.7 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 75.420000000000002 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.29 -45.75 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 73.140000000000001 110.88 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD23 ' CH2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.73 -16.87 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 64.540000000000006 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -23.91 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' TRP . 26.3 m -95.31 -15.26 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 110.876 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -23.85 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 73.430000000000007 110.864 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.8 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.329999999999998 111.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -114.81 -1.01 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.049999999999997 110.904 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -114.81 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.010000000000005 110.893 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.030000000000001 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.437 ' O ' ' N ' ' A' ' 5' ' ' SER . 7.7 t90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.861 0.362 . . . . 73.040000000000006 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -52.25 -45.68 65.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 72.329999999999998 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD22 ' CH2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.83 -16.85 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.908 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -23.94 13.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.938 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 1' ' ' TRP . 23.4 m -95.28 -15.33 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.150000000000006 110.834 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -23.7 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.864 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.94 67.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.209999999999994 111.125 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.65 -2.91 14.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.869 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.32 -33.55 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.109999999999999 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.424 ' CH2' HD21 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 74.209999999999994 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -51.76 -42.41 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.903 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' CH2' ' A' ' 1' ' ' TRP . 1.7 mp -72.63 -15.86 61.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.936 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -101.93 -22.93 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.925 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 1' ' ' TRP . 68.3 m -99.74 -20.15 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 62.32 110.864 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -26.64 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.852 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.85 -19.79 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.150000000000006 111.101 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -120.74 -5.83 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.450000000000003 110.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 -27.17 12.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 73.25 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.912 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.445 ' CH2' HD22 ' A' ' 3' ' ' LEU . 8.1 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -51.44 -47.33 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 63.020000000000003 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.445 HD22 ' CH2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -65.21 -18.14 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tt -99.71 -26.24 14.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.914 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.3 m -87.86 -25.39 23.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.821 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -21.56 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 74.120000000000005 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.24 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 62.030000000000001 111.087 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.89 -3.73 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.03 -30.94 12.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 74.310000000000002 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.429 ' CH2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 74.329999999999998 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -51.81 -42.45 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.299999999999997 110.854 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.429 HD22 ' CH2' ' A' ' 1' ' ' TRP . 1.7 mp -72.62 -15.84 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -101.86 -23.18 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 110.896 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 1' ' ' TRP . 66.2 m -99.5 -20.11 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 61.530000000000001 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -26.67 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.89 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.83 66.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.099 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -120.67 -5.91 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.329999999999998 110.925 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.19 -66.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 70.430000000000007 110.934 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 75.540000000000006 110.89 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.909 0.385 . . . . 75.129999999999995 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -46.27 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.872 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD23 ' CH2' ' A' ' 1' ' ' TRP . 1.7 mp -67.56 -17.76 64.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 62.240000000000002 110.943 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.17 -22.99 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 70.219999999999999 110.912 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' TRP . 49.2 m -95.97 -21.48 17.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 72.430000000000007 110.857 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -24.79 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -26.96 68.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.230000000000004 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.25 -3.85 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.915 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.93 26.61 9.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.129999999999995 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.510000000000005 110.865 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.428 ' CH2' HD23 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 72.400000000000006 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -51.7 -42.45 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD23 ' CH2' ' A' ' 1' ' ' TRP . 1.8 mp -72.68 -15.77 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -102.03 -22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 73.049999999999997 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 1' ' ' TRP . 67.1 m -99.73 -20.22 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.893 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -26.67 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.310000000000002 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.64 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 111.104 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -120.52 -6.93 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.902 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.17 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 75.340000000000003 110.922 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 110.869 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 5' ' ' SER . 7.7 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.815 0.34 . . . . 73.239999999999995 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -46.27 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.445 HD21 ' CH2' ' A' ' 1' ' ' TRP . 0.9 OUTLIER -65.9 -17.14 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 110.895 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.95 -24.06 13.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 65.319999999999993 110.917 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' TRP . 27.3 m -95.13 -15.58 23.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -23.79 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.200000000000003 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -24.8 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.150000000000006 111.068 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -114.9 -0.88 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.450000000000003 110.965 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -97.68 -55.34 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.918 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.763 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 65.239999999999995 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -51.24 -45.45 61.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 64.340000000000003 110.867 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.763 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.4 mp -68.96 -17.28 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.878 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.2 tm? -100.39 -22.92 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 54.329999999999998 110.949 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 1' ' ' TRP . 48.7 m -96.76 -20.23 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 45.229999999999997 110.796 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -24.88 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 63.210000000000001 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.61 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.350000000000001 111.146 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.943 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.781 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.5 t90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 75.129999999999995 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -42.68 62.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 71.140000000000001 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.781 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 2.0 mp -71.92 -16.21 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 61.329999999999998 110.894 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -101.91 -22.95 14.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 72.030000000000001 110.927 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.5 m -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.129999999999995 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -25.96 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 73.540000000000006 110.865 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.49 -20.22 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 74.349999999999994 111.106 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 73.239999999999995 110.901 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.729 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 54.439999999999998 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.29 -45.75 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 53.130000000000003 110.88 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.729 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.73 -16.87 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 62.329999999999998 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -23.91 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' TRP . 26.3 m -95.31 -15.26 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 63.399999999999999 110.876 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -23.85 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.864 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.8 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.329999999999998 111.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.904 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.733 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.861 0.362 . . . . 73.040000000000006 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -52.25 -45.68 65.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 72.329999999999998 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.733 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.83 -16.85 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.400000000000006 110.908 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -23.94 13.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.938 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 1' ' ' TRP . 23.4 m -95.28 -15.33 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.150000000000006 110.834 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -23.7 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 70.530000000000001 110.864 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.94 67.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 63.109999999999999 111.125 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.766 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 74.209999999999994 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -51.76 -42.41 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.903 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.766 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -72.63 -15.86 61.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.936 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -101.93 -22.93 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 110.925 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 1' ' ' TRP . 68.3 m -99.74 -20.15 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 62.32 110.864 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -26.64 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 63.020000000000003 110.852 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.85 -19.79 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 61.039999999999999 111.101 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.450000000000003 110.955 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.754 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.1 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -51.44 -47.33 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 54.039999999999999 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.754 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -65.21 -18.14 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 4' ' ' LEU . 1.2 tt -99.71 -26.24 14.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.914 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.3 m -87.86 -25.39 23.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.821 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -21.56 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 70.409999999999997 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.24 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 62.030000000000001 111.087 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 61.329999999999998 110.91 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.774 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 74.329999999999998 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -51.81 -42.45 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.299999999999997 110.854 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.774 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -72.62 -15.84 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.2 tm? -101.86 -23.18 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 110.896 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 1' ' ' TRP . 66.2 m -99.5 -20.11 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 61.530000000000001 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -26.67 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.89 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.83 66.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.099 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.925 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.781 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.909 0.385 . . . . 74.120000000000005 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -46.27 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 110.872 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.781 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -67.56 -17.76 64.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 62.109999999999999 110.943 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -100.17 -22.99 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 61.229999999999997 110.912 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' TRP . 49.2 m -95.97 -21.48 17.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 45.119999999999997 110.857 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -24.79 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -26.96 68.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.230000000000004 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.915 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.775 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 72.400000000000006 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -51.7 -42.45 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.775 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.8 mp -72.68 -15.77 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 63.200000000000003 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -102.03 -22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.5 110.872 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 1' ' ' TRP . 67.1 m -99.73 -20.22 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.893 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -26.67 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.230000000000004 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.64 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 35.420000000000002 111.104 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.902 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.748 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.815 0.34 . . . . 73.239999999999995 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -46.27 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.319999999999993 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.748 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.9 OUTLIER -65.9 -17.14 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 110.895 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.95 -24.06 13.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 110.917 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' TRP . 27.3 m -95.13 -15.58 23.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -23.79 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 63.539999999999999 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -24.8 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.340000000000003 111.068 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.450000000000003 110.965 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.763 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 65.239999999999995 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -51.24 -45.45 61.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 64.340000000000003 110.867 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.763 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.4 mp -68.96 -17.28 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.878 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.2 tm? -100.39 -22.92 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 54.329999999999998 110.949 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 1' ' ' TRP . 48.7 m -96.76 -20.23 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 45.229999999999997 110.796 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -24.88 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 63.210000000000001 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.61 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.350000000000001 111.146 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.48 -0.8 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.943 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.01 30.85 7.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 72.209999999999994 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.540000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.781 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.5 t90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 75.129999999999995 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -42.68 62.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 71.140000000000001 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.781 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 2.0 mp -71.92 -16.21 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 61.329999999999998 110.894 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -101.91 -22.95 14.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 72.030000000000001 110.927 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.5 m -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.129999999999995 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -25.96 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 73.540000000000006 110.865 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.49 -20.22 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 74.349999999999994 111.106 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -120.56 -5.1 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 73.239999999999995 110.901 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.0 31.85 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.25 110.865 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.729 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 54.439999999999998 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.29 -45.75 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 53.130000000000003 110.88 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.729 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.73 -16.87 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 62.329999999999998 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -23.91 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' TRP . 26.3 m -95.31 -15.26 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 63.399999999999999 110.876 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -23.85 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.864 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.8 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.329999999999998 111.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -114.81 -1.01 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -114.81 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.010000000000005 110.893 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.030000000000001 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.733 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.861 0.362 . . . . 73.040000000000006 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -52.25 -45.68 65.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 72.329999999999998 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.733 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.83 -16.85 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.400000000000006 110.908 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -23.94 13.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.938 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 1' ' ' TRP . 23.4 m -95.28 -15.33 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.150000000000006 110.834 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -23.7 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 70.530000000000001 110.864 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.94 67.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 63.109999999999999 111.125 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.65 -2.91 14.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.869 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.32 -33.55 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.109999999999999 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 71.319999999999993 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.766 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 74.209999999999994 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -51.76 -42.41 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.903 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.766 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -72.63 -15.86 61.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.936 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -101.93 -22.93 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 110.925 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 1' ' ' TRP . 68.3 m -99.74 -20.15 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 62.32 110.864 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -26.64 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 63.020000000000003 110.852 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.85 -19.79 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 61.039999999999999 111.101 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -120.74 -5.83 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.450000000000003 110.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 -27.17 12.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 73.25 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.912 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.754 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.1 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -51.44 -47.33 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 54.039999999999999 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.754 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -65.21 -18.14 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 4' ' ' LEU . 1.2 tt -99.71 -26.24 14.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.914 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.3 m -87.86 -25.39 23.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.821 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -21.56 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 70.409999999999997 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.24 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 62.030000000000001 111.087 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.89 -3.73 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 61.329999999999998 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.03 -30.94 12.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 74.310000000000002 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 74.040000000000006 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.774 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 74.329999999999998 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -51.81 -42.45 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.299999999999997 110.854 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.774 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -72.62 -15.84 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.2 tm? -101.86 -23.18 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 110.896 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 1' ' ' TRP . 66.2 m -99.5 -20.11 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 61.530000000000001 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -26.67 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.89 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.83 66.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.099 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -120.67 -5.91 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.925 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.19 -66.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 61.450000000000003 110.934 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.89 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.781 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.909 0.385 . . . . 74.120000000000005 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -46.27 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 110.872 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.781 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -67.56 -17.76 64.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 62.109999999999999 110.943 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -100.17 -22.99 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 61.229999999999997 110.912 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' TRP . 49.2 m -95.97 -21.48 17.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 45.119999999999997 110.857 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -24.79 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -26.96 68.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.230000000000004 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.25 -3.85 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.915 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.93 26.61 9.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.129999999999995 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 64.329999999999998 110.865 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.775 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 72.400000000000006 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -51.7 -42.45 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.775 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.8 mp -72.68 -15.77 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 63.200000000000003 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -102.03 -22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.5 110.872 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 1' ' ' TRP . 67.1 m -99.73 -20.22 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.893 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -26.67 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.230000000000004 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.64 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 35.420000000000002 111.104 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -120.52 -6.93 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.902 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.17 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.922 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 64.530000000000001 110.869 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.748 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.815 0.34 . . . . 73.239999999999995 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -46.27 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.319999999999993 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.748 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.9 OUTLIER -65.9 -17.14 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 110.895 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.95 -24.06 13.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 110.917 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' TRP . 27.3 m -95.13 -15.58 23.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -23.79 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 63.539999999999999 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -24.8 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.340000000000003 111.068 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -114.9 -0.88 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.450000000000003 110.965 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -97.68 -55.34 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.918 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.763 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 65.239999999999995 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -51.24 -45.45 61.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 64.340000000000003 110.867 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.763 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.4 mp -68.96 -17.28 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.878 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.2 tm? -100.39 -22.92 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 54.329999999999998 110.949 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 1' ' ' TRP . 48.7 m -96.76 -20.23 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 45.229999999999997 110.796 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -24.88 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 63.210000000000001 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.61 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.350000000000001 111.146 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.943 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.781 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.5 t90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 75.129999999999995 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -42.68 62.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 71.140000000000001 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.781 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 2.0 mp -71.92 -16.21 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 61.329999999999998 110.894 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -101.91 -22.95 14.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 72.030000000000001 110.927 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.5 m -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.129999999999995 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -25.96 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 73.540000000000006 110.865 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.49 -20.22 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 74.349999999999994 111.106 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 73.239999999999995 110.901 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.729 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 54.439999999999998 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.29 -45.75 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 53.130000000000003 110.88 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.729 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.73 -16.87 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 62.329999999999998 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -23.91 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' TRP . 26.3 m -95.31 -15.26 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 63.399999999999999 110.876 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -23.85 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.864 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.8 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.329999999999998 111.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.904 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.733 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.861 0.362 . . . . 73.040000000000006 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -52.25 -45.68 65.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 72.329999999999998 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.733 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.83 -16.85 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.400000000000006 110.908 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -23.94 13.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.938 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 1' ' ' TRP . 23.4 m -95.28 -15.33 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.150000000000006 110.834 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -23.7 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 70.530000000000001 110.864 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.94 67.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 63.109999999999999 111.125 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.766 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 74.209999999999994 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -51.76 -42.41 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.903 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.766 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -72.63 -15.86 61.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.936 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -101.93 -22.93 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 110.925 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 1' ' ' TRP . 68.3 m -99.74 -20.15 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 62.32 110.864 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -26.64 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 63.020000000000003 110.852 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.85 -19.79 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 61.039999999999999 111.101 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.450000000000003 110.955 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.754 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.1 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -51.44 -47.33 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 54.039999999999999 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.754 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -65.21 -18.14 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 4' ' ' LEU . 1.2 tt -99.71 -26.24 14.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.914 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.3 m -87.86 -25.39 23.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.821 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -21.56 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 70.409999999999997 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.24 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 62.030000000000001 111.087 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 61.329999999999998 110.91 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.774 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 74.329999999999998 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -51.81 -42.45 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.299999999999997 110.854 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.774 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -72.62 -15.84 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.2 tm? -101.86 -23.18 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 110.896 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 1' ' ' TRP . 66.2 m -99.5 -20.11 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 61.530000000000001 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -26.67 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.89 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.83 66.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.099 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.925 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.781 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.909 0.385 . . . . 74.120000000000005 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -46.27 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 110.872 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.781 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -67.56 -17.76 64.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 62.109999999999999 110.943 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -100.17 -22.99 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 61.229999999999997 110.912 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' TRP . 49.2 m -95.97 -21.48 17.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 45.119999999999997 110.857 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -24.79 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -26.96 68.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.230000000000004 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.915 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.775 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 72.400000000000006 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -51.7 -42.45 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.775 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.8 mp -72.68 -15.77 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 63.200000000000003 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -102.03 -22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.5 110.872 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 1' ' ' TRP . 67.1 m -99.73 -20.22 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.893 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -26.67 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.230000000000004 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.64 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 35.420000000000002 111.104 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.902 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.748 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.815 0.34 . . . . 73.239999999999995 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -46.27 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.319999999999993 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.748 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.9 OUTLIER -65.9 -17.14 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 110.895 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.95 -24.06 13.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 110.917 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' TRP . 27.3 m -95.13 -15.58 23.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -23.79 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 63.539999999999999 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -24.8 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.340000000000003 111.068 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.450000000000003 110.965 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.763 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 65.239999999999995 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -51.24 -45.45 61.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 64.340000000000003 110.867 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.763 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.4 mp -68.96 -17.28 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.878 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.2 tm? -100.39 -22.92 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 54.329999999999998 110.949 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 1' ' ' TRP . 48.7 m -96.76 -20.23 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 45.229999999999997 110.796 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -24.88 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 63.210000000000001 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.61 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 63.350000000000001 111.146 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.48 -0.8 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.943 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.01 30.85 7.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 72.209999999999994 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.540000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.781 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.5 t90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 75.129999999999995 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -42.68 62.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 71.140000000000001 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.781 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 2.0 mp -71.92 -16.21 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 61.329999999999998 110.894 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -101.91 -22.95 14.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 72.030000000000001 110.927 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.5 m -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 65.129999999999995 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -25.96 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 73.540000000000006 110.865 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.49 -20.22 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 74.349999999999994 111.106 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -120.56 -5.1 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 73.239999999999995 110.901 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.0 31.85 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.25 110.865 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.729 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 54.439999999999998 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.29 -45.75 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 53.130000000000003 110.88 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.729 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.73 -16.87 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 62.329999999999998 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -23.91 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' TRP . 26.3 m -95.31 -15.26 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 63.399999999999999 110.876 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -23.85 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.864 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.8 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.329999999999998 111.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -114.81 -1.01 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -114.81 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.010000000000005 110.893 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.030000000000001 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.733 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.861 0.362 . . . . 73.040000000000006 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -52.25 -45.68 65.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 72.329999999999998 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.733 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -66.83 -16.85 64.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.400000000000006 110.908 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -23.94 13.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.938 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 1' ' ' TRP . 23.4 m -95.28 -15.33 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.150000000000006 110.834 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -23.7 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 70.530000000000001 110.864 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.94 67.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 63.109999999999999 111.125 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.65 -2.91 14.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.869 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.32 -33.55 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.109999999999999 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 71.319999999999993 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.766 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 74.209999999999994 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -51.76 -42.41 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.903 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.766 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -72.63 -15.86 61.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.936 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -101.93 -22.93 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 110.925 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 1' ' ' TRP . 68.3 m -99.74 -20.15 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 62.32 110.864 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -26.64 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 63.020000000000003 110.852 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.85 -19.79 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 61.039999999999999 111.101 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -120.74 -5.83 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 63.450000000000003 110.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 -27.17 12.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 73.25 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.912 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.754 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.1 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -51.44 -47.33 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 54.039999999999999 110.866 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.754 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.8 OUTLIER -65.21 -18.14 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 4' ' ' LEU . 1.2 tt -99.71 -26.24 14.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.914 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' TRP . 72.3 m -87.86 -25.39 23.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.821 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -21.56 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 70.409999999999997 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.24 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 62.030000000000001 111.087 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -111.89 -3.73 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 61.329999999999998 110.91 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.03 -30.94 12.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 74.310000000000002 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 74.040000000000006 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.774 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 74.329999999999998 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -51.81 -42.45 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.299999999999997 110.854 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.774 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -72.62 -15.84 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.2 tm? -101.86 -23.18 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.549999999999997 110.896 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 1' ' ' TRP . 66.2 m -99.5 -20.11 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 61.530000000000001 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -26.67 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.89 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.83 66.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.099 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -120.67 -5.91 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.925 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.19 -66.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 61.450000000000003 110.934 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.89 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.781 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.909 0.385 . . . . 74.120000000000005 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -46.27 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 110.872 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.781 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.7 mp -67.56 -17.76 64.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 62.109999999999999 110.943 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -100.17 -22.99 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 61.229999999999997 110.912 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' TRP . 49.2 m -95.97 -21.48 17.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 45.119999999999997 110.857 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -24.79 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -26.96 68.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.230000000000004 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.25 -3.85 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.915 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.93 26.61 9.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.129999999999995 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.3 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 64.329999999999998 110.865 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.775 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 8.6 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 72.400000000000006 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -51.7 -42.45 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.775 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 1.8 mp -72.68 -15.77 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 63.200000000000003 110.901 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 4' ' ' LEU . 3.0 tm? -102.03 -22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.5 110.872 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 1' ' ' TRP . 67.1 m -99.73 -20.22 16.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.893 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -26.67 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.230000000000004 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.69 -19.64 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 35.420000000000002 111.104 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -120.52 -6.93 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.902 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.17 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.922 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 64.530000000000001 110.869 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.748 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 7.7 t90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.815 0.34 . . . . 73.239999999999995 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -46.27 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 72.319999999999993 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.748 HD22 ' CZ2' ' A' ' 1' ' ' TRP . 0.9 OUTLIER -65.9 -17.14 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 110.895 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.95 -24.06 13.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 110.917 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' TRP . 27.3 m -95.13 -15.58 23.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -23.79 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 63.539999999999999 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.17 -24.8 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.340000000000003 111.068 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -114.9 -0.88 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.450000000000003 110.965 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -97.68 -55.34 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.918 179.962 . . . . . . . . 0 0 . 1 stop_ save_