data_2lbz_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 2lbz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.826 0.346 . . . . 73.200000000000003 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -71.73 -40.81 69.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -64.32 -22.09 66.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 63.130000000000003 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.5 m -68.1 -13.02 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 72.310000000000002 110.867 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.897 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.08 -20.2 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 111.121 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.0 m -67.15 -29.93 69.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 75.219999999999999 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.5 -12.2 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 m -75.37 95.88 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 62.409999999999997 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 t -116.36 -25.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.230000000000004 110.876 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.41 -18.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 111.141 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -141.87 179.07 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -107.05 -22.67 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 71.340000000000003 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 110.956 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.362 . . . . 74.420000000000002 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 111.139 179.822 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.342 . . . . 61.340000000000003 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 111.093 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.461 -0.256 . . . . 62.399999999999999 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 64.120000000000005 111.13 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.791 0.329 . . . . 71.420000000000002 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -70.43 -46.4 63.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -62.03 -24.56 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.420000000000002 110.889 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.99 -13.62 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 72.439999999999998 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.59 -45.61 89.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.944 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.17 -17.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.439999999999998 111.076 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -23.95 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.916 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -10.17 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.12 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -8.91 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 111.148 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.67 99.77 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -99.95 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 110.828 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.95 -18.57 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 70.230000000000004 111.154 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -95.96 92.06 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 74.329999999999998 110.94 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 tp -52.09 -34.1 42.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 110.939 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.922 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.897 0.38 . . . . 71.400000000000006 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 111.127 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 50.350000000000001 111.111 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 70.430000000000007 111.08 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.524 -0.23 . . . . 74.400000000000006 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 65.329999999999998 111.094 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.838 0.352 . . . . 73.5 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -70.47 -45.82 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 70.109999999999999 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.81 -13.77 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.937 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 73.540000000000006 110.934 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -65.0 -17.71 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 111.154 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -26.57 66.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.28 57.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 111.071 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -8.56 54.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 64.129999999999995 111.077 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.69 90.59 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 51.25 110.886 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -116.18 -25.14 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.27 -17.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 71.519999999999996 111.109 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -141.82 174.19 10.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 75.349999999999994 110.853 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.0 -22.9 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 72.030000000000001 110.904 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 64.150000000000006 110.897 179.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.368 . . . . 75.109999999999999 110.935 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.430000000000007 111.11 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.755 0.312 . . . . 74.25 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 65.349999999999994 111.086 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 74.549999999999997 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.324 . . . . 74.409999999999997 111.102 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 71.319999999999993 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -71.3 -42.94 68.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 m -63.34 -24.19 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.844 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 m -67.05 -13.59 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.8 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.349999999999994 110.896 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.11 -17.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 111.109 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -23.89 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.2 57.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.61 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 111.141 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.66 90.08 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -115.27 -26.21 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 63.509999999999998 110.869 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -84.58 -18.58 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 70.329999999999998 111.103 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.96 161.13 38.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.841 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.92 -23.83 20.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 74.129999999999995 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.939 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.889 0.376 . . . . 74.540000000000006 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 75.209999999999994 111.139 179.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.814 0.34 . . . . 73.109999999999999 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 111.062 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 70.450000000000003 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 52.119999999999997 111.094 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 74.340000000000003 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -70.81 -35.8 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 73.310000000000002 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -64.13 -24.53 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 72.549999999999997 110.815 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.14 -11.82 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.893 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.53 -42.74 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.150000000000006 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.14 -19.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 111.13 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 70.439999999999998 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.46 -10.28 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.209999999999994 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.31 -8.61 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 111.153 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.64 85.31 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.140000000000001 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.7 p -110.8 -27.2 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.812 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -84.07 -18.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.230000000000004 111.152 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.93 157.27 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.120000000000005 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.44 -23.09 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 71.299999999999997 110.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 110.896 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.872 0.368 . . . . 70.510000000000005 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 72.5 111.151 179.829 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.824 0.345 . . . . 74.230000000000004 111.13 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 44.5 111.068 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.246 . . . . 64.299999999999997 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 70.129999999999995 111.087 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.856 0.36 . . . . 73.230000000000004 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -70.57 -42.1 71.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 75.129999999999995 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 t -64.14 -23.86 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 73.430000000000007 110.857 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -68.88 -12.09 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 110.872 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.67 -46.24 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.120000000000005 110.914 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.13 -19.09 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.098 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.439999999999998 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -10.12 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.329999999999998 111.105 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -9.33 57.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 111.075 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.03 96.17 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 70.120000000000005 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 p -116.35 -24.43 7.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 65.420000000000002 110.851 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.28 -18.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 52.310000000000002 111.149 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -141.77 170.78 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.07 -16.01 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.875 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 73.219999999999999 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 63.509999999999998 111.119 179.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.772 0.32 . . . . 74.209999999999994 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.140000000000001 111.115 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.472 -0.251 . . . . 72.120000000000005 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 75.120000000000005 111.095 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 72.120000000000005 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.7 p90 -70.46 -29.13 65.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.933 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 p -61.69 -20.08 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 71.329999999999998 110.878 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.25 -11.72 61.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 70.400000000000006 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.73 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.89 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.8 -25.57 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 71.209999999999994 111.143 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 m -67.02 -28.48 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -14.53 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.5 111.087 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.01 61.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.209999999999994 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.3 102.39 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 75.409999999999997 110.864 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 t -116.54 -25.67 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.78 -18.51 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 72.299999999999997 111.191 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -141.88 173.93 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.75 -23.81 13.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.925 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.340000000000003 110.927 179.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.88 0.371 . . . . 75.510000000000005 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.14 179.824 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 74.200000000000003 111.094 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 111.118 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.458 -0.257 . . . . 73.340000000000003 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 71.150000000000006 111.103 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.861 0.362 . . . . 64.040000000000006 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -70.43 -42.91 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 65.430000000000007 110.944 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -62.27 -24.26 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 65.150000000000006 110.843 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 m -69.26 -11.69 61.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 110.885 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.93 -46.4 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 73.030000000000001 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.12 -18.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 64.310000000000002 111.135 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -28.29 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 72.140000000000001 110.904 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.72 -9.94 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 63.409999999999997 111.073 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.15 57.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 63.450000000000003 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.3 m -74.77 122.08 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.3 m -135.24 -46.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 110.858 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.98 5.1 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 71.230000000000004 111.117 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.87 136.1 21.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.0 -26.75 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 75.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.937 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.5 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.179 179.803 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 73.319999999999993 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 65.209999999999994 111.067 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.485 -0.246 . . . . 55.439999999999998 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 62.43 111.08 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.844 0.355 . . . . 62.5 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.8 m-90 -73.59 -31.0 63.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 74.439999999999998 110.885 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -60.85 -19.56 60.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.420000000000002 110.856 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 m -68.98 -11.95 61.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 75.25 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.83 -24.81 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 72.409999999999997 110.931 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.6 -26.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.009999999999998 111.155 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.12 -27.8 67.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 43.140000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.28 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 73.409999999999997 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.63 -7.73 53.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 111.076 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 m -75.33 126.67 31.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -137.67 -41.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.109999999999999 110.886 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.1 m -82.33 -13.64 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 64.129999999999995 111.13 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.77 146.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.349999999999994 110.846 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.2 tp -83.94 -21.68 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 75.450000000000003 110.909 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.530000000000001 110.874 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 65.109999999999999 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 111.154 179.827 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.781 0.325 . . . . 74.200000000000003 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 111.114 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 75.120000000000005 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 75.349999999999994 111.09 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 71.420000000000002 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -70.47 -44.04 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.913 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -61.84 -24.14 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 72.129999999999995 110.876 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 m -69.1 -11.94 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.219999999999999 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.68 -44.57 93.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 74.230000000000004 110.905 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.13 -17.04 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 111.165 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -23.74 65.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.5 -10.24 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.07 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.78 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.219999999999999 111.07 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.68 81.27 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 62.5 110.85 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -106.97 -27.82 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.040000000000006 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.95 -18.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 147.98 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.519999999999996 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.91 -20.07 39.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 110.932 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.439999999999998 110.894 179.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 74.409999999999997 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 70.310000000000002 111.177 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.817 0.341 . . . . 73.319999999999993 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.142 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.549 -0.22 . . . . 73.019999999999996 112.549 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 73.239999999999995 111.097 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.812 0.339 . . . . 73.239999999999995 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 75.150000000000006 110.937 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 p -60.86 -20.52 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.832 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 m -68.65 -12.27 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.85 -25.96 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 73.099999999999994 110.875 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.41 -26.49 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 111.117 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.8 m -67.1 -28.54 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 64.340000000000003 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.56 -14.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.35 -11.08 60.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.400000000000006 111.126 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.28 72.73 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 75.540000000000006 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -92.2 -28.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 63.299999999999997 110.869 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.6 -18.6 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 75.299999999999997 111.134 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -147.04 167.76 23.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 tp -98.26 -12.92 21.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 71.439999999999998 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 72.209999999999994 110.899 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.888 0.375 . . . . 60.32 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 111.151 179.834 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 64.439999999999998 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 71.519999999999996 111.068 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.451 -0.26 . . . . 74.219999999999999 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 72.140000000000001 111.111 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 75.450000000000003 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -72.16 -40.81 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.450000000000003 110.948 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -63.97 -22.4 66.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 71.439999999999998 110.89 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -67.23 -13.38 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 64.25 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.409999999999997 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.13 -19.24 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.040000000000006 111.157 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.06 -28.06 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 61.130000000000003 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -15.26 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.409999999999997 111.121 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.29 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 72.319999999999993 111.126 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -75.33 85.69 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 55.25 110.859 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -104.7 -30.41 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.58 -18.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 111.129 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -145.21 158.52 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.349999999999994 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.99 -4.96 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.549999999999997 110.863 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 71.209999999999994 110.887 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.86 0.362 . . . . 74.450000000000003 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.142 179.82 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.83 0.347 . . . . 61.439999999999998 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.549999999999997 111.088 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.5 -0.24 . . . . 52.420000000000002 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 74.409999999999997 111.069 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 61.439999999999998 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -70.42 -29.58 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.030000000000001 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -62.62 -22.59 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.450000000000003 110.883 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -69.42 -11.21 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 73.420000000000002 110.871 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.26 -43.89 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 63.350000000000001 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.2 -18.89 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 71.450000000000003 111.148 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -23.33 65.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.893 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.69 -9.71 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.400000000000006 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.48 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.47 81.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.892 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -107.13 -28.46 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.22 -18.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 111.086 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -141.96 137.45 31.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.540000000000006 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 tp -74.14 -17.24 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.899 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.420000000000002 110.899 179.912 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.351 . . . . 74.540000000000006 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.329999999999998 111.097 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 65.450000000000003 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 55.509999999999998 111.151 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.515 -0.234 . . . . 75.340000000000003 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 70.019999999999996 111.094 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 74.319999999999993 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -70.42 -29.2 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.510000000000005 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -63.82 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 70.299999999999997 110.868 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 m -69.47 -11.19 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.21 -44.03 95.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.340000000000003 110.932 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.26 -18.84 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 111.105 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -23.28 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.120000000000005 110.912 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.6 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 111.112 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.04 -8.72 55.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 74.030000000000001 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.54 75.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 71.519999999999996 110.865 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -102.71 -26.2 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.239999999999995 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -83.91 -18.58 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 75.099999999999994 111.114 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -146.07 147.2 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 110.885 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.15 -14.7 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.340000000000003 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 110.936 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.869 0.366 . . . . 75.420000000000002 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.109 179.861 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.859 0.362 . . . . 52.310000000000002 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 111.102 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 64.349999999999994 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 74.230000000000004 111.142 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 73.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.52 -35.58 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 110.947 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.150000000000006 110.901 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 m -69.35 -11.42 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.329999999999998 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.66 -42.11 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.140000000000001 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.27 -20.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 111.125 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -26.07 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 64.310000000000002 110.882 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 -8.57 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -9.52 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.88 128.21 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.019999999999996 110.896 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 p -119.23 -74.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 110.851 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.39 -18.72 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.099999999999994 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -96.21 97.09 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.540000000000006 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.57 -25.8 40.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 75.099999999999994 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.932 179.9 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 74.540000000000006 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.099999999999994 111.142 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.32 . . . . 75.230000000000004 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 64.530000000000001 111.097 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.524 -0.23 . . . . 62.399999999999999 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 52.439999999999998 111.09 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.1 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.835 0.35 . . . . 64.319999999999993 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 22.5 m-90 -73.53 -45.36 54.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 72.109999999999999 110.916 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -60.84 -21.62 63.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 110.824 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -67.46 -13.27 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.5 110.885 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.33 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 75.319999999999993 110.913 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.12 -21.0 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 111.125 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.05 -26.13 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.857 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.2 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.439999999999998 111.134 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -21.62 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.085 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.2 m -77.48 60.16 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.8 t -65.24 -59.15 4.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.882 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -82.25 -18.75 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 73.019999999999996 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.57 166.32 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 110.923 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -115.42 -30.03 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 63.340000000000003 110.878 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 73.349999999999994 110.921 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.878 0.37 . . . . 73.030000000000001 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 74.510000000000005 111.08 179.838 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.743 0.306 . . . . 70.209999999999994 111.084 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 73.540000000000006 111.067 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 75.319999999999993 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 74.409999999999997 111.072 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.788 0.328 . . . . 73.430000000000007 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -70.47 -44.29 68.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.926 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -63.62 -24.14 67.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.409999999999997 110.857 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.09 -12.81 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.409999999999997 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.63 -49.72 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 74.510000000000005 110.933 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.94 -17.35 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 75.219999999999999 111.158 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -26.45 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.898 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -9.98 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 70.510000000000005 111.082 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.81 -9.69 58.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -75.1 96.29 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 72.109999999999999 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -94.91 -69.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.13 -18.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.183 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -96.82 93.72 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.76 -24.38 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 110.971 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 75.439999999999998 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.040000000000006 111.139 179.832 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.765 0.317 . . . . 74.040000000000006 111.1 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 64.150000000000006 111.069 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.517 -0.233 . . . . 74.519999999999996 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 75.450000000000003 111.134 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 74.040000000000006 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -73.72 -36.66 65.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 75.400000000000006 110.917 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -60.91 -20.92 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 61.100000000000001 110.846 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 m -69.12 -11.89 61.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 110.856 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.47 -28.55 69.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 p -65.33 -24.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 71.040000000000006 111.147 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -67.11 -27.47 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.853 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -14.0 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.062 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 -16.24 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 111.096 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.6 m -75.25 102.02 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.510000000000005 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -117.81 -33.45 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 110.861 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.29 -18.64 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -142.85 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.858 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.25 -9.65 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 73.310000000000002 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.911 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 111.124 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.774 0.321 . . . . 64.230000000000004 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 111.126 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.506 -0.238 . . . . 53.409999999999997 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 72.510000000000005 111.094 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.823 0.344 . . . . 61.43 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -70.52 -29.08 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.907 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -64.41 -21.64 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.540000000000006 110.883 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -69.92 -10.16 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 74.030000000000001 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.56 -43.82 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.450000000000003 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.28 -18.46 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 75.340000000000003 111.159 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -22.46 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 75.140000000000001 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.99 -9.01 53.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -8.19 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.075 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.33 76.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.847 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -102.54 -26.94 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.340000000000003 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.43 -18.51 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.329999999999998 111.149 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -146.12 134.6 22.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 64.109999999999999 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.56 -14.96 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 110.95 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.040000000000006 110.927 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 75.109999999999999 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.340000000000003 111.14 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.804 0.335 . . . . 74.129999999999995 111.109 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 75.109999999999999 111.134 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.248 . . . . 54.340000000000003 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 71.019999999999996 111.111 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.793 0.33 . . . . 75.120000000000005 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -72.82 -28.89 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.934 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -61.08 -21.21 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.5 -10.94 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 110.868 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -60.32 -35.48 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 110.897 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.33 -21.46 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.25 111.123 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -22.94 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 74.010000000000005 110.828 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.4 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 64.040000000000006 111.084 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -7.67 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 71.439999999999998 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.01 80.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.847 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 p -103.44 -32.74 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 72.219999999999999 110.826 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.2 t -83.57 -18.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.030000000000001 111.138 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -141.69 117.46 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.099999999999994 110.867 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -18.85 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 74.420000000000002 110.904 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.867 179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.889 0.376 . . . . 72.209999999999994 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.120000000000005 111.148 179.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.759 0.314 . . . . 72.340000000000003 111.093 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 111.135 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.465 -0.254 . . . . 72.239999999999995 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 65.230000000000004 111.106 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 74.040000000000006 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 36.7 p-90 -60.21 150.89 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 110.889 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.12 177.47 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 111.14 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.4 m -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.200000000000003 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -71.73 -40.81 69.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -64.32 -22.09 66.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 63.130000000000003 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.5 m -68.1 -13.02 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 72.310000000000002 110.867 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.897 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.08 -20.2 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 111.121 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.0 m -67.15 -29.93 69.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 75.219999999999999 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.5 -12.2 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 m -75.37 95.88 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 62.409999999999997 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 t -116.36 -25.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.230000000000004 110.876 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.41 -18.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 111.141 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -141.87 179.07 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -107.05 -22.67 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 71.340000000000003 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.0 -49.3 71.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 110.956 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -17.71 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.922 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.57 -33.36 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 111.139 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.28 -29.64 15.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 61.340000000000003 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -33.01 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 111.093 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.01 42.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.755 . . . . 62.399999999999999 112.461 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.19 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 64.120000000000005 111.13 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.9 p -81.14 -41.78 21.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 74.519999999999996 111.13 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.95 55.62 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 72.209999999999994 111.105 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 72.219999999999999 110.832 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 75.420000000000002 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -60.6 -56.93 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.530000000000001 110.922 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -170.45 137.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 64.049999999999997 111.144 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.3 m -65.97 -22.95 66.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 71.420000000000002 110.87 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -70.43 -46.4 63.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -62.03 -24.56 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.420000000000002 110.889 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.99 -13.62 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 72.439999999999998 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.59 -45.61 89.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.944 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.17 -17.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.439999999999998 111.076 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -23.95 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.916 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -10.17 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.12 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -8.91 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 111.148 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.67 99.77 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -99.95 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 110.828 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.95 -18.57 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 70.230000000000004 111.154 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -95.96 92.06 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 74.329999999999998 110.94 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 tp -52.09 -34.1 42.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 110.939 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -58.51 -46.11 87.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.922 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.74 -23.85 45.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.400000000000006 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.65 -25.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.29 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.350000000000001 111.111 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.61 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 70.430000000000007 111.08 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.35 -21.55 41.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 74.400000000000006 112.524 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.03 -24.21 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 65.329999999999998 111.094 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.0 p -78.36 -25.17 46.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 111.118 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.19 -26.26 33.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 54.25 111.106 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 71.25 110.844 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.818 0.342 . . . . 74.409999999999997 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.39 112.58 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.916 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -66.81 137.3 56.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 111.148 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -67.43 -23.29 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 73.5 110.872 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -70.47 -45.82 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 70.109999999999999 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.81 -13.77 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.937 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 73.540000000000006 110.934 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -65.0 -17.71 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 111.154 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -26.57 66.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.28 57.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 111.071 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -8.56 54.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 64.129999999999995 111.077 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.69 90.59 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 51.25 110.886 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -116.18 -25.14 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.27 -17.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 71.519999999999996 111.109 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -141.82 174.19 10.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 75.349999999999994 110.853 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.0 -22.9 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 72.030000000000001 110.904 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.08 -50.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 64.150000000000006 110.897 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.08 -23.79 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 110.935 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.68 -28.62 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.430000000000007 111.11 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.81 -27.12 27.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 74.25 111.04 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.48 -31.63 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 65.349999999999994 111.086 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.39 -25.42 33.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 74.549999999999997 112.505 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.76 -25.32 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.324 . . . . 74.409999999999997 111.102 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.0 p -78.17 -25.05 47.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 74.120000000000005 111.151 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.07 -22.62 36.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 62.329999999999998 111.13 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.329999999999998 110.857 -179.799 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 75.530000000000001 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.8 m-90 -62.38 -51.19 68.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.02 151.48 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 74.120000000000005 111.185 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 91.0 m -64.75 -23.62 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 71.319999999999993 110.855 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -71.3 -42.94 68.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 m -63.34 -24.19 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.844 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 m -67.05 -13.59 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.8 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.349999999999994 110.896 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.11 -17.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 111.109 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -23.89 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.2 57.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.61 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 111.141 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.66 90.08 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -115.27 -26.21 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 63.509999999999998 110.869 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -84.58 -18.58 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 70.329999999999998 111.103 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.96 161.13 38.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.841 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.92 -23.83 20.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 74.129999999999995 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.1 -53.81 51.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.939 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tp -56.95 -23.48 45.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.540000000000006 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.0 t -61.55 -25.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 75.209999999999994 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.81 -26.99 26.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 111.13 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.51 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 111.062 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.14 -20.69 43.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 70.450000000000003 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -24.34 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 52.119999999999997 111.094 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -78.25 -25.21 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 73.450000000000003 111.098 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.96 -29.63 26.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 74.209999999999994 111.147 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 110.859 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 73.019999999999996 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -175.37 148.89 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.935 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -171.89 154.29 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 111.139 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.91 -23.66 67.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.861 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -70.81 -35.8 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 73.310000000000002 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -64.13 -24.53 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 72.549999999999997 110.815 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.14 -11.82 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.893 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.53 -42.74 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.150000000000006 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.14 -19.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 111.13 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 70.439999999999998 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.46 -10.28 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.209999999999994 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.31 -8.61 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 111.153 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.64 85.31 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.140000000000001 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.7 p -110.8 -27.2 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.812 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -84.07 -18.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.230000000000004 111.152 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.93 157.27 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.120000000000005 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.44 -23.09 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 71.299999999999997 110.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.13 -54.4 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 110.896 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -56.94 -23.36 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 70.510000000000005 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.56 -26.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 72.5 111.151 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.25 -26.54 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 111.13 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.19 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 44.5 111.068 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.2 -20.53 43.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 64.299999999999997 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.45 53.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 70.129999999999995 111.087 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -79.05 -25.09 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 60.310000000000002 111.137 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 111.112 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 110.878 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.777 0.322 . . . . 75.310000000000002 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -174.44 135.43 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.944 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 t -172.21 162.17 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.530000000000001 111.123 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.21 -24.62 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 73.230000000000004 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -70.57 -42.1 71.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 75.129999999999995 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 t -64.14 -23.86 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 73.430000000000007 110.857 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -68.88 -12.09 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 110.872 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.67 -46.24 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.120000000000005 110.914 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.13 -19.09 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.098 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.439999999999998 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -10.12 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.329999999999998 111.105 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -9.33 57.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 111.075 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.03 96.17 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 70.120000000000005 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 p -116.35 -24.43 7.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 65.420000000000002 110.851 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.28 -18.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 52.310000000000002 111.149 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -141.77 170.78 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.07 -16.01 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.15 -49.97 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.875 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -53.91 -26.92 27.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.97 -35.92 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 63.509999999999998 111.119 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.94 19.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 111.06 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.3 -30.32 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 74.140000000000001 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.18 -21.87 41.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 72.120000000000005 112.472 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -24.41 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 75.120000000000005 111.095 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -78.29 -36.38 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 72.209999999999994 111.145 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.86 62.86 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.200000000000003 111.128 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.530000000000001 110.838 -179.787 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 72.510000000000005 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -59.42 -43.01 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.549999999999997 110.96 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.16 178.85 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 63.039999999999999 111.19 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.24 -42.56 93.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.120000000000005 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.7 p90 -70.46 -29.13 65.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.933 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 p -61.69 -20.08 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 71.329999999999998 110.878 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.25 -11.72 61.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 70.400000000000006 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.73 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.89 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.8 -25.57 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 71.209999999999994 111.143 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 m -67.02 -28.48 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -14.53 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.5 111.087 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.01 61.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.209999999999994 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.3 102.39 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 75.409999999999997 110.864 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 t -116.54 -25.67 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.78 -18.51 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 72.299999999999997 111.191 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -141.88 173.93 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.75 -23.81 13.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.925 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.28 -48.72 73.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.340000000000003 110.927 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.6 -17.61 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 75.510000000000005 110.906 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.51 -26.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.14 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.64 -28.62 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.094 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.7 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.47 -17.36 47.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 73.340000000000003 112.458 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -26.29 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 71.150000000000006 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.33 -22.87 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 70.530000000000001 111.163 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.37 -24.48 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.409999999999997 111.118 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.869 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.806 0.336 . . . . 63.229999999999997 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -61.4 116.96 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -69.5 135.3 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 111.181 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.2 m -65.91 -23.07 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.040000000000006 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -70.43 -42.91 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 65.430000000000007 110.944 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -62.27 -24.26 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 65.150000000000006 110.843 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 m -69.26 -11.69 61.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 110.885 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.93 -46.4 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 73.030000000000001 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.12 -18.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 64.310000000000002 111.135 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -28.29 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 72.140000000000001 110.904 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.72 -9.94 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 63.409999999999997 111.073 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.15 57.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 63.450000000000003 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.3 m -74.77 122.08 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.3 m -135.24 -46.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 110.858 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.98 5.1 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 71.230000000000004 111.117 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.87 136.1 21.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.0 -26.75 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 75.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -56.14 -45.91 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.937 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -24.5 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.919 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.74 -31.09 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.179 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.17 -28.87 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 111.129 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.48 -29.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 65.209999999999994 111.067 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.45 -20.37 44.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 55.439999999999998 112.485 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.93 57.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 62.43 111.08 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.1 p -80.99 -42.85 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 73.310000000000002 111.138 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.83 -75.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 74.420000000000002 111.061 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.87 -179.751 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.815 0.34 . . . . 75.310000000000002 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.53 117.96 5.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 74.010000000000005 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.2 p -69.5 146.53 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 71.010000000000005 111.143 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.74 -24.3 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 62.5 110.927 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.8 m-90 -73.59 -31.0 63.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 74.439999999999998 110.885 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -60.85 -19.56 60.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.420000000000002 110.856 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 m -68.98 -11.95 61.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 75.25 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.83 -24.81 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 72.409999999999997 110.931 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.6 -26.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.009999999999998 111.155 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.12 -27.8 67.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 43.140000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.28 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 73.409999999999997 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.63 -7.73 53.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 111.076 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 m -75.33 126.67 31.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -137.67 -41.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.109999999999999 110.886 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.1 m -82.33 -13.64 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 64.129999999999995 111.13 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.77 146.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.349999999999994 110.846 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.2 tp -83.94 -21.68 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 75.450000000000003 110.909 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.16 -42.44 73.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.530000000000001 110.874 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.81 -17.81 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 110.932 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.55 -36.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 111.154 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.79 -28.47 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.200000000000003 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -31.39 53.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -25.43 71.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 75.120000000000005 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.34 -24.06 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 75.349999999999994 111.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -78.99 -26.38 43.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 111.158 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.29 -50.58 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.400000000000006 110.853 -179.801 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 70.219999999999999 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -63.21 -64.97 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.530000000000001 110.955 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -170.25 141.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 74.510000000000005 111.162 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.1 -22.55 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 71.420000000000002 110.864 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -70.47 -44.04 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.913 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -61.84 -24.14 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 72.129999999999995 110.876 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 m -69.1 -11.94 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.219999999999999 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.68 -44.57 93.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 74.230000000000004 110.905 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.13 -17.04 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 111.165 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -23.74 65.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.5 -10.24 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.07 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.78 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.219999999999999 111.07 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.476 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 0.9 OUTLIER -74.68 81.27 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 62.5 110.85 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -106.97 -27.82 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.040000000000006 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.95 -18.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 147.98 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.519999999999996 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.91 -20.07 39.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 110.932 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 tp -57.18 -54.22 49.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.439999999999998 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . 1.476 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.5 -21.98 60.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.62 -27.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 70.310000000000002 111.177 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.34 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 111.141 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.43 -28.02 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.142 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.47 41.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 73.019999999999996 112.549 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.59 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 73.239999999999995 111.097 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.5 p -78.2 -24.67 47.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 71.019999999999996 111.13 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.72 -22.35 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 70.120000000000005 111.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 65.120000000000005 110.879 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.35 . . . . 73.209999999999994 110.824 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -60.51 114.49 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.010000000000005 110.936 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.71 129.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 74.409999999999997 111.106 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.61 -25.88 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 75.150000000000006 110.937 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 p -60.86 -20.52 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.832 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 m -68.65 -12.27 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.85 -25.96 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 73.099999999999994 110.875 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.41 -26.49 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 111.117 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.8 m -67.1 -28.54 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 64.340000000000003 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.56 -14.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.35 -11.08 60.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.400000000000006 111.126 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.28 72.73 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 75.540000000000006 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -92.2 -28.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 63.299999999999997 110.869 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.6 -18.6 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 75.299999999999997 111.134 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -147.04 167.76 23.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 tp -98.26 -12.92 21.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 71.439999999999998 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.48 -57.5 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 72.209999999999994 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -64.75 -17.54 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 60.32 110.926 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.45 -30.67 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 111.151 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.49 -28.59 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 64.439999999999998 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.34 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 71.519999999999996 111.068 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.26 -24.0 70.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 74.219999999999999 112.451 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.45 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 72.140000000000001 111.111 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -81.25 -22.82 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 71.530000000000001 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.35 -24.59 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 71.230000000000004 111.099 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.913 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 65.510000000000005 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -61.91 130.95 48.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 73.010000000000005 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.34 137.97 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.340000000000003 111.119 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.2 m -67.38 -24.64 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.450000000000003 110.85 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -72.16 -40.81 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.450000000000003 110.948 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -63.97 -22.4 66.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 71.439999999999998 110.89 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -67.23 -13.38 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 64.25 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.409999999999997 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.13 -19.24 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.040000000000006 111.157 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.06 -28.06 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 61.130000000000003 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -15.26 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.409999999999997 111.121 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.29 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 72.319999999999993 111.126 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -75.33 85.69 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 55.25 110.859 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -104.7 -30.41 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.58 -18.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 111.129 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -145.21 158.52 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.349999999999994 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.99 -4.96 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.549999999999997 110.863 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.74 -61.03 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 71.209999999999994 110.887 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.32 -17.39 63.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 74.450000000000003 110.882 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.24 -30.61 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.142 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.78 -29.73 12.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 61.439999999999998 111.105 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.549999999999997 111.088 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.03 -28.62 53.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 52.420000000000002 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -24.26 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 74.409999999999997 111.069 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.5 p -78.39 -41.59 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 111.132 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.99 56.42 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 111.098 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.87 -179.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.791 0.329 . . . . 74.019999999999996 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -61.65 121.24 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 74.5 110.881 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.76 131.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 72.120000000000005 111.132 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.9 m -66.11 -23.63 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 61.439999999999998 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -70.42 -29.58 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.030000000000001 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -62.62 -22.59 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.450000000000003 110.883 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -69.42 -11.21 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 73.420000000000002 110.871 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.26 -43.89 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 63.350000000000001 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.2 -18.89 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 71.450000000000003 111.148 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -23.33 65.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.893 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.69 -9.71 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.400000000000006 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.48 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.47 81.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.892 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -107.13 -28.46 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.22 -18.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 111.086 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -141.96 137.45 31.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.540000000000006 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 tp -74.14 -17.24 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.899 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 mt -58.86 -56.76 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.420000000000002 110.899 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.15 -22.88 43.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 74.540000000000006 110.897 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.53 -26.05 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.329999999999998 111.097 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -29.22 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 65.450000000000003 111.089 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.06 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 55.509999999999998 111.151 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.35 52.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.340000000000003 112.515 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -25.22 58.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 70.019999999999996 111.094 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.48 -23.51 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.510000000000005 111.155 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.36 -24.54 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 72.420000000000002 111.117 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 62.409999999999997 110.881 -179.827 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 63.299999999999997 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.68 -55.5 26.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 73.329999999999998 110.924 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.78 129.18 39.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 75.030000000000001 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.891 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -70.42 -29.2 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.510000000000005 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -63.82 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 70.299999999999997 110.868 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 m -69.47 -11.19 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.21 -44.03 95.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.340000000000003 110.932 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.26 -18.84 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 111.105 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -23.28 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.120000000000005 110.912 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.6 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 111.112 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.04 -8.72 55.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 74.030000000000001 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.54 75.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 71.519999999999996 110.865 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -102.71 -26.2 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.239999999999995 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -83.91 -18.58 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 75.099999999999994 111.114 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -146.07 147.2 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 110.885 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.15 -14.7 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.340000000000003 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -58.43 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.219999999999999 110.936 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp -57.02 -23.32 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 75.420000000000002 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.8 m -61.63 -26.17 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.109 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -29.33 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 52.310000000000002 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.57 -27.98 29.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.04 52.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 64.349999999999994 112.483 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -24.81 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 74.230000000000004 111.142 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.63 -23.71 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 111.137 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 111.086 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 61.420000000000002 110.854 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.789 0.328 . . . . 74.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -62.02 120.68 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 71.439999999999998 110.941 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.29 162.2 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 64.219999999999999 111.1 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.3 -22.12 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 73.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.52 -35.58 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 110.947 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.150000000000006 110.901 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 m -69.35 -11.42 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.329999999999998 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.66 -42.11 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.140000000000001 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.27 -20.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 111.125 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -26.07 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 64.310000000000002 110.882 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 -8.57 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -9.52 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.474 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 1.7 m -74.88 128.21 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.019999999999996 110.896 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 p -119.23 -74.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 110.851 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.39 -18.72 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.099999999999994 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -96.21 97.09 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.540000000000006 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.57 -25.8 40.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 75.099999999999994 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.74 -51.94 66.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . 1.474 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -27.48 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.540000000000006 110.876 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.92 -29.27 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.099999999999994 111.142 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -28.61 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.28 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 64.530000000000001 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.63 -21.08 57.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 62.399999999999999 112.524 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.09 -24.75 56.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 52.439999999999998 111.09 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.0 p -79.78 -26.85 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 72.140000000000001 111.154 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.76 -63.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 111.134 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.841 -179.777 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.793 0.33 . . . . 70.450000000000003 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -60.55 125.51 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 73.040000000000006 110.906 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.28 157.04 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 111.137 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.1 m -64.87 -24.27 67.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.319999999999993 110.904 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 22.5 m-90 -73.53 -45.36 54.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 72.109999999999999 110.916 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -60.84 -21.62 63.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 110.824 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -67.46 -13.27 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.5 110.885 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.33 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 75.319999999999993 110.913 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.12 -21.0 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 111.125 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.05 -26.13 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.857 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.2 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.439999999999998 111.134 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -21.62 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.085 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.2 m -77.48 60.16 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.8 t -65.24 -59.15 4.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.882 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -82.25 -18.75 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 73.019999999999996 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.57 166.32 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 110.923 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -115.42 -30.03 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 63.340000000000003 110.878 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.87 -55.5 34.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 73.349999999999994 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.71 -17.34 64.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 73.030000000000001 110.942 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.42 -30.54 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 74.510000000000005 111.08 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.89 -29.83 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 70.209999999999994 111.084 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.03 -34.91 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 73.540000000000006 111.067 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.04 -26.31 34.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.744 . . . . 75.319999999999993 112.496 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 -24.59 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 74.409999999999997 111.072 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -78.32 -41.43 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.329999999999998 111.112 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.84 55.04 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 64.25 111.128 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 110.84 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.3 . . . . 54.539999999999999 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -63.65 -29.7 70.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 110.903 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -69.53 137.34 52.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.209999999999994 111.106 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.25 -23.97 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.838 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -70.47 -44.29 68.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.926 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -63.62 -24.14 67.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.409999999999997 110.857 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.09 -12.81 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.409999999999997 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.63 -49.72 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 74.510000000000005 110.933 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.94 -17.35 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 75.219999999999999 111.158 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -26.45 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.898 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -9.98 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 70.510000000000005 111.082 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.81 -9.69 58.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.467 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 2.1 m -75.1 96.29 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 72.109999999999999 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -94.91 -69.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.13 -18.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.183 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -96.82 93.72 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.76 -24.38 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.37 -54.6 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 110.971 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . 1.467 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.76 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 75.439999999999998 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -61.72 -29.2 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.040000000000006 111.139 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -28.81 21.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.040000000000006 111.1 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.25 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 64.150000000000006 111.069 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -24.47 36.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 74.519999999999996 112.517 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.09 -25.12 58.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 75.450000000000003 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.0 p -78.59 -42.06 30.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 111.161 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.02 54.93 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 65.049999999999997 111.111 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.109999999999999 110.83 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 74.530000000000001 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -62.26 -30.52 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -69.43 132.02 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 73.219999999999999 111.119 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.3 m -65.94 -24.52 66.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -73.72 -36.66 65.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 75.400000000000006 110.917 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -60.91 -20.92 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 61.100000000000001 110.846 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 m -69.12 -11.89 61.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 110.856 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.47 -28.55 69.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 p -65.33 -24.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 71.040000000000006 111.147 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -67.11 -27.47 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.853 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -14.0 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.062 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 -16.24 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 111.096 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.6 m -75.25 102.02 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.510000000000005 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -117.81 -33.45 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 110.861 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.29 -18.64 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -142.85 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.858 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.25 -9.65 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 73.310000000000002 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -57.34 -60.47 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.911 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -17.39 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.319999999999993 110.91 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.27 -30.15 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 111.124 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.73 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 64.230000000000004 111.093 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.69 65.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 111.126 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.26 -25.93 67.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 53.409999999999997 112.506 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.38 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 72.510000000000005 111.094 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.2 p -79.14 -25.09 42.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.5 111.141 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.93 -25.55 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.400000000000006 111.075 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 110.866 -179.78 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 73.010000000000005 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -61.58 115.33 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.040000000000006 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.2 p -66.73 166.29 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 111.192 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.2 m -67.88 -41.93 82.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 61.43 110.861 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -70.52 -29.08 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.907 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -64.41 -21.64 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.540000000000006 110.883 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -69.92 -10.16 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 74.030000000000001 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.56 -43.82 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.450000000000003 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.28 -18.46 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 75.340000000000003 111.159 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -22.46 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 75.140000000000001 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.99 -9.01 53.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -8.19 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.075 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.33 76.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.847 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -102.54 -26.94 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.340000000000003 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.43 -18.51 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.329999999999998 111.149 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -146.12 134.6 22.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 64.109999999999999 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.56 -14.96 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 110.95 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.51 -51.87 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.040000000000006 110.927 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.97 -23.22 44.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.0 m -61.66 -25.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.340000000000003 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.65 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 111.109 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.59 -26.5 32.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 75.109999999999999 111.134 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.9 -17.55 43.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 54.340000000000003 112.479 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.34 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 71.019999999999996 111.111 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.4 p -78.33 -25.26 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 73.310000000000002 111.138 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.78 -26.71 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.329999999999998 111.129 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.140000000000001 110.875 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 64.319999999999993 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -60.72 155.29 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.049999999999997 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 t -172.21 159.59 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 111.133 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 110.827 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -72.82 -28.89 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.934 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -61.08 -21.21 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.5 -10.94 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 110.868 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -60.32 -35.48 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 110.897 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.33 -21.46 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.25 111.123 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -22.94 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 74.010000000000005 110.828 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.4 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 64.040000000000006 111.084 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -7.67 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 71.439999999999998 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.01 80.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.847 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 p -103.44 -32.74 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 72.219999999999999 110.826 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.2 t -83.57 -18.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.030000000000001 111.138 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -141.69 117.46 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.099999999999994 110.867 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -18.85 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 74.420000000000002 110.904 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.85 -45.11 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -22.24 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 72.209999999999994 110.958 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.37 -24.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.120000000000005 111.148 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.29 -25.96 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.340000000000003 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.32 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 111.135 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -20.48 53.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 72.239999999999995 112.465 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.57 56.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 65.230000000000004 111.106 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -79.32 -23.2 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 111.168 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.46 -12.57 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 111.106 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 72.450000000000003 110.876 -179.754 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.826 0.346 . . . . 73.2 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -71.73 -40.81 69.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 73.22 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.715 ' O ' HG12 ' A' ' 9' ' ' VAL . 66.8 m -64.32 -22.09 66.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 42.52 110.841 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.5 m -68.1 -13.02 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 61.43 110.867 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.897 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 6' ' ' SER . 9.2 p -65.08 -20.2 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.121 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.0 m -67.15 -29.93 69.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 75.22 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.5 -12.2 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.13 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 m -75.37 95.88 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 62.41 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 t -116.36 -25.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.876 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.41 -18.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 40.24 111.141 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -141.87 179.07 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -107.05 -22.67 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 62.31 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.956 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.362 . . . . 62.3 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.139 179.822 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.342 . . . . 54.12 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.02 111.093 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.461 -0.256 . . . . 62.4 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 64.12 111.13 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.791 0.329 . . . . 62.23 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -70.43 -46.4 63.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.693 ' O ' HG12 ' A' ' 9' ' ' VAL . 15.5 t -62.03 -24.56 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.889 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.99 -13.62 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 70.13 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.59 -45.61 89.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 74.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 6' ' ' SER . 11.8 p -65.17 -17.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.44 111.076 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -23.95 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.916 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -10.17 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.12 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -8.91 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.4 111.148 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.67 99.77 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -99.95 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 53.1 110.828 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.95 -18.57 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 64.11 111.154 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -95.96 92.06 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.94 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 tp -52.09 -34.1 42.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.939 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.922 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.897 0.38 . . . . 71.24 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 62.43 111.127 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 50.35 111.111 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 52.43 111.08 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.524 -0.23 . . . . 74.4 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 65.33 111.094 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.838 0.352 . . . . 51.41 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -70.47 -45.82 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.3 m -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 70.11 110.835 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.81 -13.77 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.35 110.937 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 73.41 110.934 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 6' ' ' SER . 10.3 p -65.0 -17.71 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.32 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -26.57 66.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.28 57.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.071 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -8.56 54.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 64.13 111.077 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.69 90.59 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 43.52 110.886 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -116.18 -25.14 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 63.51 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.27 -17.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 70.12 111.109 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -141.82 174.19 10.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 75.01 110.853 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -103.0 -22.9 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 60.51 110.904 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 63.43 110.897 179.868 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' HD13 ' A' ' 17' ' ' LEU . 3.3 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.368 . . . . 75.11 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 70.41 111.11 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.755 0.312 . . . . 74.25 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 65.35 111.086 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 74.55 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.324 . . . . 70.35 111.102 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 63.14 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -71.3 -42.94 68.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.707 ' O ' HG12 ' A' ' 9' ' ' VAL . 63.9 m -63.34 -24.19 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 62.31 110.844 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 m -67.05 -13.59 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.8 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.35 110.896 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 6' ' ' SER . 12.3 p -65.11 -17.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.109 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -23.89 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.2 57.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.13 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.61 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.32 111.141 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.66 90.08 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -115.27 -26.21 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 61.3 110.869 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -84.58 -18.58 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 61.2 111.103 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.96 161.13 38.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.841 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.92 -23.83 20.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 54.21 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . 49.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.939 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.889 0.376 . . . . 74.54 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 18' ' ' LEU . 82.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.44 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.814 0.34 . . . . 55.12 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 44.44 111.062 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 64.41 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 52.12 111.094 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 74.34 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -70.81 -35.8 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 60.53 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.676 ' O ' HG12 ' A' ' 9' ' ' VAL . 2.2 t -64.13 -24.53 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 60.21 110.815 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.14 -11.82 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 64.32 110.893 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.53 -42.74 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 65.41 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 6' ' ' SER . 14.6 p -65.14 -19.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.13 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.46 -10.28 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.21 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.31 -8.61 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.44 111.153 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.64 85.31 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.7 p -110.8 -27.2 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 73.3 110.812 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -84.07 -18.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.23 111.152 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.93 157.27 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.44 -23.09 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 61.14 110.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.896 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.872 0.368 . . . . 64.21 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' LEU . 85.1 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 63.35 111.151 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.824 0.345 . . . . 70.14 111.13 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 41.45 111.068 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.246 . . . . 64.3 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 52.2 111.087 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.856 0.36 . . . . 73.23 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -70.57 -42.1 71.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 75.13 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.608 ' O ' HG12 ' A' ' 9' ' ' VAL . 36.3 t -64.14 -23.86 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.857 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -68.88 -12.09 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 70.13 110.872 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.67 -46.24 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.914 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 6' ' ' SER . 12.8 p -65.13 -19.09 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.098 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 44.31 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -10.12 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 51.23 111.105 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -9.33 57.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.23 111.075 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.03 96.17 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 53.52 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 p -116.35 -24.43 7.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 65.42 110.851 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.28 -18.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 52.31 111.149 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -141.77 170.78 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.07 -16.01 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 72.13 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.875 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 73.22 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 61.5 111.119 179.85 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.772 0.32 . . . . 74.21 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 65.43 111.115 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.472 -0.251 . . . . 72.12 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 62.12 111.095 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 72.12 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.593 ' O ' HD23 ' A' ' 8' ' ' LEU . 16.7 p90 -70.46 -29.13 65.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.671 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.2 p -61.69 -20.08 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 45.42 110.878 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.25 -11.72 61.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 62.43 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.4 pp -60.73 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.89 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 6' ' ' SER . 8.4 p -65.8 -25.57 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 55.53 111.143 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 m -67.02 -28.48 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 64.15 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -14.53 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.5 111.087 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.01 61.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.21 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.3 102.39 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.864 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 t -116.54 -25.67 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 70.44 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.78 -18.51 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 70.53 111.191 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -141.88 173.93 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 20' ' ' LEU . 4.2 mm? -102.75 -23.81 13.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 65.52 110.925 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.927 179.889 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD12 HD13 ' A' ' 17' ' ' LEU . 3.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.88 0.371 . . . . 75.51 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.14 179.824 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 74.2 111.094 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.24 111.118 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.458 -0.257 . . . . 73.34 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 71.15 111.103 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.861 0.362 . . . . 44.11 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -70.43 -42.91 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 65.43 110.944 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.587 ' O ' HG12 ' A' ' 9' ' ' VAL . 43.2 t -62.27 -24.26 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 63.14 110.843 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 m -69.26 -11.69 61.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.41 110.885 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.93 -46.4 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 73.03 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 6' ' ' SER . 10.8 p -65.12 -18.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 62.2 111.135 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -28.29 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.904 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.72 -9.94 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 63.41 111.073 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.15 57.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 41.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' HD12 ' A' ' 20' ' ' LEU . 4.3 m -74.77 122.08 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.3 m -135.24 -46.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.858 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.98 5.1 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 71.23 111.117 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.87 136.1 21.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.0 -26.75 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 75.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.937 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 13' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.5 110.919 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 64.24 111.179 179.803 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 71.35 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 64.41 111.067 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.485 -0.246 . . . . 55.44 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 30.04 111.08 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.844 0.355 . . . . 62.5 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.576 ' O ' HD23 ' A' ' 8' ' ' LEU . 12.8 m-90 -73.59 -31.0 63.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.662 ' O ' HG12 ' A' ' 9' ' ' VAL . 25.4 p -60.85 -19.56 60.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.42 110.856 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 m -68.98 -11.95 61.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 75.12 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 5' ' ' TRP . 3.0 pp -60.83 -24.81 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.931 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 6' ' ' SER . 8.5 p -65.6 -26.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.01 111.155 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.12 -27.8 67.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 43.14 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.28 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 54.35 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.63 -7.73 53.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.076 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.718 ' HB2' HD22 ' A' ' 20' ' ' LEU . 8.6 m -75.33 126.67 31.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.01 110.872 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -137.67 -41.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.11 110.886 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.1 m -82.33 -13.64 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 61.15 111.13 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.77 146.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.05 110.846 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 20' ' ' LEU . 66.2 tp -83.94 -21.68 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 75.45 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.874 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 ' HB2' ' A' ' 13' ' ' CYS . 1.7 mm? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 62.12 110.932 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.154 179.827 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.781 0.325 . . . . 73.23 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.24 111.114 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 55.02 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 64.04 111.09 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 71.42 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -70.47 -44.04 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.913 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.668 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.2 m -61.84 -24.14 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 72.13 110.876 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 m -69.1 -11.94 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.68 -44.57 93.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 54.12 110.905 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 6' ' ' SER . 12.0 p -65.13 -17.04 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.02 111.165 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -23.74 65.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.5 -10.24 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.32 111.07 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.78 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.07 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.68 81.27 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 62.5 110.85 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -106.97 -27.82 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.04 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.95 -18.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.33 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 147.98 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.91 -20.07 39.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.932 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.8 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.44 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 74.41 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 18' ' ' LEU . 87.9 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 64.44 111.177 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.817 0.341 . . . . 63.14 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.142 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.549 -0.22 . . . . 73.02 112.549 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 54.43 111.097 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.812 0.339 . . . . 72.54 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.589 ' O ' HD23 ' A' ' 8' ' ' LEU . 5.2 m-90 -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 64.03 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.685 ' O ' HG12 ' A' ' 9' ' ' VAL . 23.5 p -60.86 -20.52 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.832 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 m -68.65 -12.27 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.4 pp -60.85 -25.96 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 6' ' ' SER . 9.2 p -65.41 -26.49 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.14 111.117 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.8 m -67.1 -28.54 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.56 -14.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.12 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.35 -11.08 60.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.4 111.126 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.28 72.73 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 65.52 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -92.2 -28.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 52.23 110.869 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.6 -18.6 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.134 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -147.04 167.76 23.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 70.14 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD1' HD22 ' A' ' 20' ' ' LEU . 4.9 tp -98.26 -12.92 21.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' VAL . 9.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 61.04 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 17' ' ' LEU . 2.0 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.888 0.375 . . . . 60.32 110.926 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 18' ' ' LEU . 8.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 50.42 111.151 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 64.44 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 25.15 111.068 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.451 -0.26 . . . . 74.22 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 72.14 111.111 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 61.1 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -72.16 -40.81 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.45 110.948 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.722 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.0 t -63.97 -22.4 66.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.89 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -67.23 -13.38 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 64.25 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 62.5 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.722 HG12 ' O ' ' A' ' 6' ' ' SER . 7.8 p -65.13 -19.24 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.157 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.06 -28.06 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 61.13 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -15.26 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.34 111.121 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.29 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 63.22 111.126 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -75.33 85.69 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 55.25 110.859 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -104.7 -30.41 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.58 -18.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 72.22 111.129 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -145.21 158.52 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.99 -4.96 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.55 110.863 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' HG12 ' A' ' 21' ' ' VAL . 80.3 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.887 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.86 0.362 . . . . 54.33 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 18' ' ' LEU . 7.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.23 111.142 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.83 0.347 . . . . 61.44 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.55 111.088 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.5 -0.24 . . . . 50.13 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 62.2 111.069 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 61.44 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -70.42 -29.58 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.583 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.1 t -62.62 -22.59 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.45 110.883 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -69.42 -11.21 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.871 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.26 -43.89 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 63.35 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 6' ' ' SER . 11.6 p -65.2 -18.89 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 44.11 111.148 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -23.33 65.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.893 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.69 -9.71 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 63.23 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.48 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 30.14 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.47 81.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.892 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -107.13 -28.46 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.22 -18.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 62.12 111.086 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -141.96 137.45 31.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 20' ' ' LEU . 11.3 tp -74.14 -17.24 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' O ' HG12 ' A' ' 21' ' ' VAL . 34.0 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' A' ' 17' ' ' LEU . 3.0 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.351 . . . . 74.54 110.897 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 18' ' ' LEU . 7.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 63.13 111.097 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 65.45 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 44.14 111.151 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.515 -0.234 . . . . 75.34 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 64.13 111.094 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 74.32 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -70.42 -29.2 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.51 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 9' ' ' VAL . 22.2 p -63.82 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 60.31 110.868 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 m -69.47 -11.19 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 74.31 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.21 -44.03 95.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 62.23 110.932 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 6' ' ' SER . 11.1 p -65.26 -18.84 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.105 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -23.28 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.12 110.912 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.6 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.112 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.04 -8.72 55.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 42.2 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.54 75.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 54.33 110.865 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -102.71 -26.2 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.04 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -83.91 -18.58 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 74.14 111.114 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -146.07 147.2 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.885 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.15 -14.7 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 65.14 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 34.03 110.936 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.869 0.366 . . . . 74.15 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 18' ' ' LEU . 17.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 63.21 111.109 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.859 0.362 . . . . 52.31 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 34.31 111.102 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 64.35 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 74.23 111.142 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 63.3 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.52 -35.58 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.947 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.2 m -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.15 110.901 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 m -69.35 -11.42 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.66 -42.11 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.14 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 6' ' ' SER . 12.7 p -65.27 -20.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 44.5 111.125 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -26.07 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 64.31 110.882 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 -8.57 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.2 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -9.52 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 24.11 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.88 128.21 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.896 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 p -119.23 -74.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.851 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.39 -18.72 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 72.03 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -96.21 97.09 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.57 -25.8 40.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 75.1 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.932 179.9 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 74.54 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.142 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.32 . . . . 75.23 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 64.53 111.097 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.524 -0.23 . . . . 62.4 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 52.44 111.09 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.1 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.835 0.35 . . . . 63.44 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.596 ' O ' HD23 ' A' ' 8' ' ' LEU . 22.5 m-90 -73.53 -45.36 54.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 70.34 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 9' ' ' VAL . 2.2 t -60.84 -21.62 63.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.44 110.824 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -67.46 -13.27 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.5 110.885 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' TRP . 1.4 pp -64.33 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 64.33 110.913 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 6' ' ' SER . 8.8 p -65.12 -21.0 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.3 111.125 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.05 -26.13 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 40.01 110.857 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.2 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.44 111.134 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -21.62 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.085 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.2 m -77.48 60.16 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 53.13 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.8 t -65.24 -59.15 4.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.882 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -82.25 -18.75 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 61.22 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.57 166.32 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.923 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -115.42 -30.03 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 50.43 110.878 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.9 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 65.3 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.878 0.37 . . . . 73.03 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 18' ' ' LEU . 9.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 73.24 111.08 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.743 0.306 . . . . 54.51 111.084 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 73.54 111.067 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 75.32 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 55.43 111.072 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.788 0.328 . . . . 51.4 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -70.47 -44.29 68.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.926 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.542 ' O ' HG12 ' A' ' 9' ' ' VAL . 29.7 t -63.62 -24.14 67.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.857 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.09 -12.81 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.63 -49.72 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 40.32 110.933 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 6' ' ' SER . 11.3 p -64.94 -17.35 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 75.22 111.158 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -26.45 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.898 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -9.98 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 63.51 111.082 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.81 -9.69 58.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -75.1 96.29 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 51.44 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -94.91 -69.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.13 -18.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 65.51 111.183 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -96.82 93.72 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.76 -24.38 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.34 110.971 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 75.44 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 18' ' ' LEU . 12.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.139 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.765 0.317 . . . . 74.04 111.1 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 64.15 111.069 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.517 -0.233 . . . . 74.52 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 62.12 111.134 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 74.04 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.596 ' O ' HD23 ' A' ' 8' ' ' LEU . 29.3 m-90 -73.72 -36.66 65.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.917 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.64 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.4 t -60.91 -20.92 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 51.32 110.846 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 m -69.12 -11.89 61.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 61.04 110.856 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' TRP . 1.9 pp -62.47 -28.55 69.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 55.33 110.893 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 6' ' ' SER . 13.9 p -65.33 -24.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.147 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -67.11 -27.47 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.853 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -14.0 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.062 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 -16.24 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.04 111.096 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.6 m -75.25 102.02 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -117.81 -33.45 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 61.51 110.861 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.29 -18.64 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -142.85 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 70.21 110.858 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.25 -9.65 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 73.13 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' HG12 ' A' ' 21' ' ' VAL . 45.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.911 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 62.21 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 18' ' ' LEU . 9.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 71.24 111.124 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.774 0.321 . . . . 64.23 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.126 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.506 -0.238 . . . . 53.41 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 72.51 111.094 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.823 0.344 . . . . 54.45 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -70.52 -29.08 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.907 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.532 ' O ' HG12 ' A' ' 9' ' ' VAL . 7.2 t -64.41 -21.64 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.883 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -69.92 -10.16 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 65.13 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.56 -43.82 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 55.42 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 6' ' ' SER . 11.1 p -65.28 -18.46 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 63.21 111.159 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -22.46 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 75.14 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.99 -9.01 53.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -8.19 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 51.02 111.075 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.33 76.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.847 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -102.54 -26.94 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.43 -18.51 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.25 111.149 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -146.12 134.6 22.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 64.11 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.56 -14.96 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.95 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.5 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.04 110.927 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 74.14 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 18' ' ' LEU . 18.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.34 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.804 0.335 . . . . 74.13 111.109 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 75.11 111.134 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.248 . . . . 54.34 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 71.02 111.111 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.793 0.33 . . . . 75.12 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.585 ' O ' HD23 ' A' ' 8' ' ' LEU . 4.7 m-90 -72.82 -28.89 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.611 ' O ' HG12 ' A' ' 9' ' ' VAL . 34.4 p -61.08 -21.21 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.868 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.5 -10.94 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.42 110.868 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.1 pp -60.32 -35.48 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 54.2 110.897 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 6' ' ' SER . 11.8 p -65.33 -21.46 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 64.04 111.123 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -22.94 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 64.31 110.828 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.4 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 42.1 111.084 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -7.67 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.01 80.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.35 110.847 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 p -103.44 -32.74 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 63.51 110.826 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.2 t -83.57 -18.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 62.1 111.138 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -141.69 117.46 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 64.13 110.867 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.31 -18.85 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 71.24 110.904 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.4 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.889 0.376 . . . . 64.54 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 18' ' ' LEU . 7.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.12 111.148 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.759 0.314 . . . . 72.34 111.093 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.135 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.465 -0.254 . . . . 72.24 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 64.12 111.106 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 74.04 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.43 ' O ' HG23 ' A' ' 3' ' ' THR . 36.7 p-90 -60.21 150.89 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.889 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -171.12 177.47 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 50.54 111.14 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.4 m -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -71.73 -40.81 69.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 73.22 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.715 ' O ' HG12 ' A' ' 9' ' ' VAL . 66.8 m -64.32 -22.09 66.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 42.52 110.841 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.5 m -68.1 -13.02 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 61.43 110.867 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.897 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 6' ' ' SER . 9.2 p -65.08 -20.2 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.121 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.0 m -67.15 -29.93 69.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 75.22 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.5 -12.2 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.13 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 m -75.37 95.88 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 62.41 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 t -116.36 -25.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.876 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.41 -18.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 40.24 111.141 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -141.87 179.07 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -107.05 -22.67 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 62.31 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.0 -49.3 71.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.956 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -17.71 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 62.3 110.922 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.57 -33.36 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.139 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.28 -29.64 15.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 54.12 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -33.01 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.02 111.093 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.01 42.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.755 . . . . 62.4 112.461 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.19 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 64.12 111.13 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.9 p -81.14 -41.78 21.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 73.24 111.13 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.95 55.62 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 72.21 111.105 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 54.04 110.832 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 72.22 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.495 ' O ' HG23 ' A' ' 3' ' ' THR . 28.7 m95 -60.6 -56.93 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.922 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -170.45 137.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 61.41 111.144 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' HB3' HG23 ' A' ' 29' ' ' THR . 75.3 m -65.97 -22.95 66.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 62.23 110.87 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -70.43 -46.4 63.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.693 ' O ' HG12 ' A' ' 9' ' ' VAL . 15.5 t -62.03 -24.56 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.889 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.99 -13.62 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 70.13 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.59 -45.61 89.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 74.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 6' ' ' SER . 11.8 p -65.17 -17.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.44 111.076 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -23.95 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.916 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -10.17 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.12 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -8.91 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.4 111.148 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.67 99.77 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -99.95 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 53.1 110.828 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.95 -18.57 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 64.11 111.154 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -95.96 92.06 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.94 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 tp -52.09 -34.1 42.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.939 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -58.51 -46.11 87.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.922 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.74 -23.85 45.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.65 -25.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 62.43 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.29 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.35 111.111 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.61 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 52.43 111.08 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.35 -21.55 41.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 74.4 112.524 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.03 -24.21 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 65.33 111.094 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 4' ' ' CYS . 28.0 p -78.36 -25.17 46.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 61.14 111.118 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.19 -26.26 33.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 52.03 111.106 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.2 110.844 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.818 0.342 . . . . 74.41 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.39 112.58 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.916 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -66.81 137.3 56.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 45.4 111.148 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HB3' HG23 ' A' ' 29' ' ' THR . 72.5 m -67.43 -23.29 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 51.41 110.872 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -70.47 -45.82 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.3 m -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 70.11 110.835 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.81 -13.77 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.35 110.937 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 73.41 110.934 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 6' ' ' SER . 10.3 p -65.0 -17.71 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.32 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -26.57 66.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.28 57.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.071 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -8.56 54.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 64.13 111.077 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.69 90.59 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 43.52 110.886 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -116.18 -25.14 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 63.51 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.27 -17.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 70.12 111.109 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -141.82 174.19 10.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 75.01 110.853 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -103.0 -22.9 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 60.51 110.904 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.08 -50.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 63.43 110.897 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' HD13 ' A' ' 17' ' ' LEU . 3.3 tp -57.08 -23.79 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.935 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.68 -28.62 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 70.41 111.11 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.81 -27.12 27.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 74.25 111.04 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.48 -31.63 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 65.35 111.086 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.39 -25.42 33.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 74.55 112.505 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.76 -25.32 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.324 . . . . 70.35 111.102 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.451 HG23 ' HB3' ' A' ' 4' ' ' CYS . 29.0 p -78.17 -25.05 47.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 70.33 111.151 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.07 -22.62 36.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 44.35 111.13 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.857 -179.799 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 75.53 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.498 ' O ' HG23 ' A' ' 3' ' ' THR . 12.8 m-90 -62.38 -51.19 68.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.934 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -172.02 151.48 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.185 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.427 ' HB3' HG23 ' A' ' 29' ' ' THR . 91.0 m -64.75 -23.62 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 63.14 110.855 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -71.3 -42.94 68.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.707 ' O ' HG12 ' A' ' 9' ' ' VAL . 63.9 m -63.34 -24.19 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 62.31 110.844 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 m -67.05 -13.59 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.8 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.35 110.896 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 6' ' ' SER . 12.3 p -65.11 -17.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.109 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -23.89 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.2 57.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.13 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.61 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.32 111.141 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.66 90.08 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -115.27 -26.21 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 61.3 110.869 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -84.58 -18.58 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 61.2 111.103 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.96 161.13 38.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.841 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.92 -23.83 20.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 54.21 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . 49.0 mt -55.1 -53.81 51.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.939 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tp -56.95 -23.48 45.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 18' ' ' LEU . 82.0 t -61.55 -25.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.44 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.81 -26.99 26.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 55.12 111.13 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.51 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 44.44 111.062 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.14 -20.69 43.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 64.41 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -24.34 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 52.12 111.094 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 4' ' ' CYS . 21.4 p -78.25 -25.21 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 72.4 111.098 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.96 -29.63 26.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 74.21 111.147 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.859 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 62.42 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -175.37 148.89 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 61.32 110.935 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.714 HG23 ' H ' ' A' ' 6' ' ' SER . 9.6 t -171.89 154.29 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.139 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.91 -23.66 67.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.861 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -70.81 -35.8 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 60.53 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.714 ' H ' HG23 ' A' ' 3' ' ' THR . 2.2 t -64.13 -24.53 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 60.21 110.815 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.14 -11.82 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 64.32 110.893 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.53 -42.74 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 65.41 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 6' ' ' SER . 14.6 p -65.14 -19.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.13 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.46 -10.28 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.21 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.31 -8.61 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.44 111.153 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.64 85.31 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.7 p -110.8 -27.2 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 73.3 110.812 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -84.07 -18.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.23 111.152 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.93 157.27 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.44 -23.09 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 61.14 110.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 mm? -55.13 -54.4 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.896 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -56.94 -23.36 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 64.21 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' LEU . 85.1 t -61.56 -26.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 63.35 111.151 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.25 -26.54 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 70.14 111.13 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.19 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 41.45 111.068 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.2 -20.53 43.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 64.3 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.45 53.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 52.2 111.087 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -79.05 -25.09 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 55.44 111.137 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 73.52 111.112 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.878 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.777 0.322 . . . . 75.31 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -174.44 135.43 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.944 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.696 HG23 ' H ' ' A' ' 6' ' ' SER . 5.8 t -172.21 162.17 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 54.14 111.123 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.21 -24.62 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 73.23 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -70.57 -42.1 71.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 75.13 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.696 ' H ' HG23 ' A' ' 3' ' ' THR . 36.3 t -64.14 -23.86 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.857 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -68.88 -12.09 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 70.13 110.872 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.67 -46.24 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.914 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 6' ' ' SER . 12.8 p -65.13 -19.09 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.098 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 44.31 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -10.12 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 51.23 111.105 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -9.33 57.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.23 111.075 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.03 96.17 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 53.52 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 p -116.35 -24.43 7.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 65.42 110.851 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.28 -18.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 52.31 111.149 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -141.77 170.78 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.07 -16.01 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 72.13 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.15 -49.97 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.875 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -53.91 -26.92 27.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.97 -35.92 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 61.5 111.119 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.94 19.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.06 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.3 -30.32 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 65.43 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.18 -21.87 41.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 72.12 112.472 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -24.41 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 62.12 111.095 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -78.29 -36.38 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 64.4 111.145 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.86 62.86 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.2 111.128 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.838 -179.787 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 64.1 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.434 ' O ' HG23 ' A' ' 3' ' ' THR . 8.6 m0 -59.42 -43.01 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.96 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.654 HG21 ' CZ2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -170.16 178.85 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 63.04 111.19 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.24 -42.56 93.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.12 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.654 ' CZ2' HG21 ' A' ' 3' ' ' THR . 16.7 p90 -70.46 -29.13 65.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.671 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.2 p -61.69 -20.08 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 45.42 110.878 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.25 -11.72 61.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 62.43 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.4 pp -60.73 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.89 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 6' ' ' SER . 8.4 p -65.8 -25.57 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 55.53 111.143 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 m -67.02 -28.48 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 64.15 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -14.53 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.5 111.087 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.01 61.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.21 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.3 102.39 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.864 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 t -116.54 -25.67 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 70.44 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.78 -18.51 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 70.53 111.191 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -141.88 173.93 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 20' ' ' LEU . 4.2 mm? -102.75 -23.81 13.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 65.52 110.925 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.28 -48.72 73.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.927 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD12 HD13 ' A' ' 17' ' ' LEU . 3.6 mt -78.6 -17.61 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.906 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.51 -26.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.14 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.64 -28.62 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.094 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.7 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.24 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.47 -17.36 47.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 73.34 112.458 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -26.29 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 71.15 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.33 -22.87 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 53.35 111.163 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.37 -24.48 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.118 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.869 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.806 0.336 . . . . 63.23 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -61.4 116.96 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -69.5 135.3 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.181 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.649 ' HB3' HG23 ' A' ' 29' ' ' THR . 77.2 m -65.91 -23.07 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 44.11 110.89 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -70.43 -42.91 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 65.43 110.944 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.587 ' O ' HG12 ' A' ' 9' ' ' VAL . 43.2 t -62.27 -24.26 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 63.14 110.843 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 m -69.26 -11.69 61.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.41 110.885 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.93 -46.4 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 73.03 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 6' ' ' SER . 10.8 p -65.12 -18.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 62.2 111.135 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -28.29 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.904 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.72 -9.94 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 63.41 111.073 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.15 57.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 41.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' HD12 ' A' ' 20' ' ' LEU . 4.3 m -74.77 122.08 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.3 m -135.24 -46.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.858 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.98 5.1 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 71.23 111.117 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.87 136.1 21.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.0 -26.75 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 75.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -56.14 -45.91 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.937 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -56.33 -24.5 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.919 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.74 -31.09 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 64.24 111.179 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.17 -28.87 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 71.35 111.129 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.48 -29.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 64.41 111.067 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.45 -20.37 44.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 55.44 112.485 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.93 57.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 30.04 111.08 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 4' ' ' CYS . 34.1 p -80.99 -42.85 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 54.3 111.138 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.83 -75.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 61.34 111.061 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 61.22 110.87 -179.751 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.815 0.34 . . . . 75.31 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.53 117.96 5.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.2 p -69.5 146.53 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 44.21 111.143 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.74 -24.3 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 62.5 110.927 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.576 ' O ' HD23 ' A' ' 8' ' ' LEU . 12.8 m-90 -73.59 -31.0 63.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.662 ' O ' HG12 ' A' ' 9' ' ' VAL . 25.4 p -60.85 -19.56 60.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.42 110.856 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 m -68.98 -11.95 61.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 75.12 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 5' ' ' TRP . 3.0 pp -60.83 -24.81 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.931 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 6' ' ' SER . 8.5 p -65.6 -26.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.01 111.155 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.12 -27.8 67.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 43.14 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.28 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 54.35 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.63 -7.73 53.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.076 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.718 ' HB2' HD22 ' A' ' 20' ' ' LEU . 8.6 m -75.33 126.67 31.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.01 110.872 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -137.67 -41.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.11 110.886 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.1 m -82.33 -13.64 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 61.15 111.13 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.77 146.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.05 110.846 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 20' ' ' LEU . 66.2 tp -83.94 -21.68 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 75.45 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.16 -42.44 73.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.874 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 ' HB2' ' A' ' 13' ' ' CYS . 1.7 mm? -65.81 -17.81 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 62.12 110.932 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.55 -36.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.154 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.79 -28.47 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -31.39 53.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.24 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -25.43 71.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 55.02 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.34 -24.06 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 64.04 111.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -78.99 -26.38 43.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.23 111.158 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.29 -50.58 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.1 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.853 -179.801 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 70.22 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.504 ' O ' HG23 ' A' ' 3' ' ' THR . 89.1 m95 -63.21 -64.97 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -170.25 141.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.162 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.1 -22.55 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.864 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -70.47 -44.04 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.913 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.668 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.2 m -61.84 -24.14 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 72.13 110.876 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 m -69.1 -11.94 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.68 -44.57 93.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 54.12 110.905 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 6' ' ' SER . 12.0 p -65.13 -17.04 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.02 111.165 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -23.74 65.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.5 -10.24 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.32 111.07 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.78 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.07 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.476 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 0.9 OUTLIER -74.68 81.27 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 62.5 110.85 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -106.97 -27.82 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.04 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.95 -18.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.33 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 147.98 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.91 -20.07 39.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.932 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.8 tp -57.18 -54.22 49.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.44 110.894 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' DSG . . . . . 1.476 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.5 -21.98 60.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 18' ' ' LEU . 87.9 t -61.62 -27.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 64.44 111.177 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.34 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 63.14 111.141 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.43 -28.02 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.142 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.47 41.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 73.02 112.549 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.59 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 54.43 111.097 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.5 p -78.2 -24.67 47.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 62.42 111.13 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.72 -22.35 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 70.12 111.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 65.12 110.879 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.35 . . . . 73.21 110.824 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.429 ' O ' HG23 ' A' ' 3' ' ' THR . 80.7 t90 -60.51 114.49 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.01 110.936 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -171.71 129.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 74.15 111.106 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.61 -25.88 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.54 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.589 ' O ' HD23 ' A' ' 8' ' ' LEU . 5.2 m-90 -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 64.03 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.685 ' O ' HG12 ' A' ' 9' ' ' VAL . 23.5 p -60.86 -20.52 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.832 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 m -68.65 -12.27 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.4 pp -60.85 -25.96 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 6' ' ' SER . 9.2 p -65.41 -26.49 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.14 111.117 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.8 m -67.1 -28.54 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.56 -14.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.12 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.35 -11.08 60.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.4 111.126 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.28 72.73 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 65.52 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -92.2 -28.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 52.23 110.869 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.6 -18.6 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.134 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -147.04 167.76 23.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 70.14 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD1' HD22 ' A' ' 20' ' ' LEU . 4.9 tp -98.26 -12.92 21.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' VAL . 9.9 tp -56.48 -57.5 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 61.04 110.899 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 17' ' ' LEU . 2.0 tp -64.75 -17.54 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 60.32 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.981 HG13 HG23 ' A' ' 22' ' ' 2TL . 8.2 p -61.45 -30.67 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 50.42 111.151 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 0.981 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.49 -28.59 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 64.44 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.34 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 25.15 111.068 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.26 -24.0 70.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 74.22 112.451 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.45 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 72.14 111.111 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -81.25 -22.82 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 62.51 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.35 -24.59 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 71.23 111.099 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.913 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 65.51 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.439 ' O ' HG23 ' A' ' 3' ' ' THR . 5.2 m-90 -61.91 130.95 48.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.878 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -172.34 137.97 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.119 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.522 ' HB3' HG23 ' A' ' 29' ' ' THR . 94.2 m -67.38 -24.64 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.1 110.85 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -72.16 -40.81 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.45 110.948 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.722 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.0 t -63.97 -22.4 66.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.89 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -67.23 -13.38 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 64.25 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 62.5 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.722 HG12 ' O ' ' A' ' 6' ' ' SER . 7.8 p -65.13 -19.24 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.157 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.06 -28.06 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 61.13 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -15.26 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.34 111.121 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.29 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 63.22 111.126 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -75.33 85.69 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 55.25 110.859 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -104.7 -30.41 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.58 -18.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 72.22 111.129 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -145.21 158.52 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.99 -4.96 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.55 110.863 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' HG12 ' A' ' 21' ' ' VAL . 80.3 mt -58.74 -61.03 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.887 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' DSG . . . . . 0.444 ' HB2' HG12 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.32 -17.39 63.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 54.33 110.882 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.995 HG13 HG23 ' A' ' 22' ' ' 2TL . 7.6 p -61.24 -30.61 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.23 111.142 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 0.995 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.78 -29.73 12.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 61.44 111.105 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.55 111.088 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.03 -28.62 53.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 50.13 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -24.26 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 62.2 111.069 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.522 HG23 ' HB3' ' A' ' 4' ' ' CYS . 31.5 p -78.39 -41.59 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.132 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.99 56.42 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.23 111.098 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.87 -179.806 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.791 0.329 . . . . 74.02 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 3' ' ' THR . 6.5 m-90 -61.65 121.24 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 73.05 110.881 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -169.76 131.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 72.12 111.132 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.9 m -66.11 -23.63 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 61.44 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -70.42 -29.58 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.583 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.1 t -62.62 -22.59 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.45 110.883 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -69.42 -11.21 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.871 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.26 -43.89 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 63.35 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 6' ' ' SER . 11.6 p -65.2 -18.89 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 44.11 111.148 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -23.33 65.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.893 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.69 -9.71 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 63.23 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.48 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 30.14 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.47 81.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.892 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -107.13 -28.46 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.22 -18.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 62.12 111.086 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -141.96 137.45 31.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 20' ' ' LEU . 11.3 tp -74.14 -17.24 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' O ' HG12 ' A' ' 21' ' ' VAL . 34.0 mt -58.86 -56.76 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.25 110.899 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' DSG . . . . . 0.408 ' HB2' HG12 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' A' ' 17' ' ' LEU . 3.0 tp -57.15 -22.88 43.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.897 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.036 HG13 HG23 ' A' ' 22' ' ' 2TL . 7.5 p -61.53 -26.05 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 63.13 111.097 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 1.036 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -29.22 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 65.45 111.089 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.06 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 44.14 111.151 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.35 52.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.34 112.515 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -25.22 58.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 64.13 111.094 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.48 -23.51 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.51 111.155 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.36 -24.54 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 52.32 111.117 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.881 -179.827 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 61.12 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.68 -55.5 26.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.924 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.78 129.18 39.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 62.55 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.891 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -70.42 -29.2 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.51 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 9' ' ' VAL . 22.2 p -63.82 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 60.31 110.868 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 m -69.47 -11.19 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 74.31 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.21 -44.03 95.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 62.23 110.932 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 6' ' ' SER . 11.1 p -65.26 -18.84 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.105 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -23.28 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.12 110.912 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.6 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.112 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.04 -8.72 55.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 42.2 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.54 75.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 54.33 110.865 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -102.71 -26.2 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.04 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -83.91 -18.58 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 74.14 111.114 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -146.07 147.2 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.885 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.15 -14.7 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 65.14 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -58.77 -58.43 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 34.03 110.936 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp -57.02 -23.32 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 74.15 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.034 HG23 HG23 ' A' ' 22' ' ' 2TL . 17.8 m -61.63 -26.17 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 63.21 111.109 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 1.034 HG23 HG23 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -29.33 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 52.31 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.57 -27.98 29.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 34.31 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.04 52.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 64.35 112.483 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -24.81 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 74.23 111.142 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.63 -23.71 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.137 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 55.25 111.086 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 61.01 110.854 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.789 0.328 . . . . 74.42 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -62.02 120.68 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 62.35 110.941 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.29 162.2 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 64.22 111.1 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.3 -22.12 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 63.3 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.52 -35.58 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.947 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.2 m -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.15 110.901 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 m -69.35 -11.42 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.66 -42.11 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.14 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 6' ' ' SER . 12.7 p -65.27 -20.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 44.5 111.125 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -26.07 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 64.31 110.882 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 -8.57 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.2 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -9.52 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 24.11 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.474 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 1.7 m -74.88 128.21 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.896 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 p -119.23 -74.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.851 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.39 -18.72 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 72.03 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -96.21 97.09 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.57 -25.8 40.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 75.1 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.74 -51.94 66.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' DSG . . . . . 1.474 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -27.48 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.54 110.876 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.92 -29.27 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.142 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -28.61 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 75.23 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.28 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 64.53 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.63 -21.08 57.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 62.4 112.524 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.09 -24.75 56.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 52.44 111.09 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.0 p -79.78 -26.85 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 70.31 111.154 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.76 -63.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 62.42 111.134 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.841 -179.777 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.793 0.33 . . . . 70.45 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.418 ' O ' HG23 ' A' ' 3' ' ' THR . 3.3 m0 -60.55 125.51 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.906 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -172.28 157.04 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 64.44 111.137 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.505 ' HB3' HG23 ' A' ' 29' ' ' THR . 79.1 m -64.87 -24.27 67.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.44 110.904 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.596 ' O ' HD23 ' A' ' 8' ' ' LEU . 22.5 m-90 -73.53 -45.36 54.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 70.34 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 9' ' ' VAL . 2.2 t -60.84 -21.62 63.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.44 110.824 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -67.46 -13.27 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.5 110.885 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' TRP . 1.4 pp -64.33 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 64.33 110.913 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 6' ' ' SER . 8.8 p -65.12 -21.0 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.3 111.125 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.05 -26.13 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 40.01 110.857 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.2 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.44 111.134 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -21.62 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.085 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.2 m -77.48 60.16 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 53.13 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.8 t -65.24 -59.15 4.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.882 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -82.25 -18.75 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 61.22 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.57 166.32 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.923 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -115.42 -30.03 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 50.43 110.878 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.9 mp -58.87 -55.5 34.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 65.3 110.921 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.71 -17.34 64.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 73.03 110.942 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 22' ' ' 2TL . 9.9 p -61.42 -30.54 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 73.24 111.08 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 1.049 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.89 -29.83 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 54.51 111.084 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.03 -34.91 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 73.54 111.067 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.04 -26.31 34.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.744 . . . . 75.32 112.496 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 -24.59 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 55.43 111.072 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 4' ' ' CYS . 75.7 p -78.32 -41.43 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 64.14 111.112 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.84 55.04 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 31.55 111.128 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.84 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.3 . . . . 54.54 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -63.65 -29.7 70.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.903 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 5' ' ' TRP . 2.0 m -69.53 137.34 52.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.21 111.106 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.25 -23.97 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 51.4 110.838 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.412 ' H ' HG22 ' A' ' 3' ' ' THR . 4.2 m-90 -70.47 -44.29 68.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.926 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.542 ' O ' HG12 ' A' ' 9' ' ' VAL . 29.7 t -63.62 -24.14 67.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.857 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.09 -12.81 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.63 -49.72 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 40.32 110.933 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 6' ' ' SER . 11.3 p -64.94 -17.35 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 75.22 111.158 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -26.45 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.898 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -9.98 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 63.51 111.082 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.81 -9.69 58.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.467 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 2.1 m -75.1 96.29 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 51.44 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -94.91 -69.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.13 -18.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 65.51 111.183 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -96.82 93.72 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.76 -24.38 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.1 mm? -59.37 -54.6 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.34 110.971 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' DSG . . . . . 1.467 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.76 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 75.44 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.065 HG23 HG23 ' A' ' 22' ' ' 2TL . 12.0 m -61.72 -29.2 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.139 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 1.065 HG23 HG23 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -28.81 21.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.04 111.1 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.25 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 64.15 111.069 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -24.47 36.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.517 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.09 -25.12 58.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 62.12 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.0 p -78.59 -42.06 30.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.53 111.161 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.02 54.93 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 65.05 111.111 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.11 110.83 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 74.53 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -62.26 -30.52 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -69.43 132.02 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 73.22 111.119 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.3 m -65.94 -24.52 66.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.04 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.596 ' O ' HD23 ' A' ' 8' ' ' LEU . 29.3 m-90 -73.72 -36.66 65.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.917 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.64 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.4 t -60.91 -20.92 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 51.32 110.846 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 m -69.12 -11.89 61.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 61.04 110.856 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' TRP . 1.9 pp -62.47 -28.55 69.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 55.33 110.893 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 6' ' ' SER . 13.9 p -65.33 -24.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.147 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -67.11 -27.47 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.853 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -14.0 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.062 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 -16.24 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.04 111.096 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.6 m -75.25 102.02 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -117.81 -33.45 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 61.51 110.861 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.29 -18.64 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -142.85 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 70.21 110.858 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.25 -9.65 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 73.13 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' HG12 ' A' ' 21' ' ' VAL . 45.6 mt -57.34 -60.47 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.911 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -17.39 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 62.21 110.91 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.03 HG13 HG23 ' A' ' 22' ' ' 2TL . 9.4 p -61.27 -30.15 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 71.24 111.124 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 1.03 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.73 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 64.23 111.093 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.69 65.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.126 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.26 -25.93 67.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 53.41 112.506 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.38 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 72.51 111.094 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.2 p -79.14 -25.09 42.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.25 111.141 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.93 -25.55 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.075 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.866 -179.78 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 73.01 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -61.58 115.33 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.691 HG21 ' CZ2' ' A' ' 5' ' ' TRP . 78.2 p -66.73 166.29 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 64.41 111.192 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HB3' HG23 ' A' ' 29' ' ' THR . 19.2 m -67.88 -41.93 82.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 54.45 110.861 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.691 ' CZ2' HG21 ' A' ' 3' ' ' THR . 15.4 p90 -70.52 -29.08 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.532 ' O ' HG12 ' A' ' 9' ' ' VAL . 7.2 t -64.41 -21.64 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.883 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -69.92 -10.16 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 65.13 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.56 -43.82 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 55.42 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 6' ' ' SER . 11.1 p -65.28 -18.46 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 63.21 111.159 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -22.46 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 75.14 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.99 -9.01 53.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -8.19 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 51.02 111.075 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.33 76.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.847 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -102.54 -26.94 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.43 -18.51 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.25 111.149 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -146.12 134.6 22.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 64.11 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.56 -14.96 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.95 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.5 mm? -58.51 -51.87 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.04 110.927 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' DSG . . . . . 0.456 ' HB2' HG22 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.97 -23.22 44.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.001 HG23 HG23 ' A' ' 22' ' ' 2TL . 18.0 m -61.66 -25.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.34 111.14 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 1.001 HG23 HG23 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.65 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.13 111.109 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.59 -26.5 32.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 75.11 111.134 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.9 -17.55 43.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 54.34 112.479 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.34 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 71.02 111.111 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 4' ' ' CYS . 34.4 p -78.33 -25.26 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 73.31 111.138 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.78 -26.71 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.129 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.875 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 64.32 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -60.72 155.29 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' H ' ' A' ' 6' ' ' SER . 4.8 t -172.21 159.59 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 74.44 111.133 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.827 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.585 ' O ' HD23 ' A' ' 8' ' ' LEU . 4.7 m-90 -72.82 -28.89 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.611 ' O ' HG12 ' A' ' 9' ' ' VAL . 34.4 p -61.08 -21.21 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.868 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.5 -10.94 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.42 110.868 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.1 pp -60.32 -35.48 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 54.2 110.897 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 6' ' ' SER . 11.8 p -65.33 -21.46 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 64.04 111.123 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -22.94 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 64.31 110.828 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.4 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 42.1 111.084 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -7.67 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.01 80.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.35 110.847 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 p -103.44 -32.74 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 63.51 110.826 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.2 t -83.57 -18.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 62.1 111.138 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -141.69 117.46 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 64.13 110.867 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.31 -18.85 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 71.24 110.904 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.4 mp -58.85 -45.11 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.867 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' DSG . . . . . 0.442 ' HB2' HG12 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -22.24 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 64.54 110.958 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.015 HG13 HG23 ' A' ' 22' ' ' 2TL . 7.2 p -61.37 -24.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.12 111.148 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' 2TL . . . . . 1.015 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.29 -25.96 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.34 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.32 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.135 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -20.48 53.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 72.24 112.465 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.57 56.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 64.12 111.106 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -79.32 -23.2 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.15 111.168 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.46 -12.57 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.13 111.106 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 50.31 110.876 -179.754 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.826 0.346 . . . . 73.200000000000003 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -71.73 -40.81 69.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.715 ' O ' HG12 ' A' ' 9' ' ' VAL . 66.8 m -64.32 -22.09 66.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 42.520000000000003 110.841 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.5 m -68.1 -13.02 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 61.43 110.867 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.897 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 6' ' ' SER . 9.2 p -65.08 -20.2 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 111.121 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.0 m -67.15 -29.93 69.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 75.219999999999999 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.5 -12.2 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 m -75.37 95.88 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 62.409999999999997 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 t -116.36 -25.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.230000000000004 110.876 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.41 -18.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 40.240000000000002 111.141 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -141.87 179.07 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -107.05 -22.67 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 62.310000000000002 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.400000000000006 110.956 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.362 . . . . 62.299999999999997 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.3 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 64.219999999999999 111.139 179.822 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.342 . . . . 54.119999999999997 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.019999999999996 111.093 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.461 -0.256 . . . . 62.399999999999999 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 64.120000000000005 111.13 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.791 0.329 . . . . 62.229999999999997 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -70.43 -46.4 63.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.693 ' O ' HG12 ' A' ' 9' ' ' VAL . 15.5 t -62.03 -24.56 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.319999999999993 110.889 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.99 -13.62 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 70.129999999999995 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.59 -45.61 89.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 74.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 6' ' ' SER . 11.8 p -65.17 -17.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.439999999999998 111.076 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -23.95 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.916 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -10.17 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.12 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -8.91 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 111.148 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.67 99.77 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -99.95 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 53.100000000000001 110.828 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.95 -18.57 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 64.109999999999999 111.154 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -95.96 92.06 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 74.329999999999998 110.94 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 tp -52.09 -34.1 42.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 110.939 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 71.150000000000006 110.922 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.897 0.38 . . . . 71.239999999999995 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 62.43 111.127 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 50.350000000000001 111.111 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 52.43 111.08 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.524 -0.23 . . . . 74.400000000000006 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 65.329999999999998 111.094 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.838 0.352 . . . . 51.409999999999997 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -70.47 -45.82 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.3 m -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 70.109999999999999 110.835 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.81 -13.77 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.349999999999994 110.937 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 73.409999999999997 110.934 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 6' ' ' SER . 10.3 p -65.0 -17.71 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -26.57 66.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.28 57.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 111.071 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -8.56 54.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 64.129999999999995 111.077 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.69 90.59 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 43.520000000000003 110.886 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -116.18 -25.14 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 63.509999999999998 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.27 -17.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 70.120000000000005 111.109 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -141.82 174.19 10.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 75.010000000000005 110.853 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -103.0 -22.9 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 60.509999999999998 110.904 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 63.43 110.897 179.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' HD13 ' A' ' 17' ' ' LEU . 3.3 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.368 . . . . 75.109999999999999 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 70.409999999999997 111.11 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.755 0.312 . . . . 74.25 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 65.349999999999994 111.086 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 74.549999999999997 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.324 . . . . 70.349999999999994 111.102 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 63.140000000000001 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -71.3 -42.94 68.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.707 ' O ' HG12 ' A' ' 9' ' ' VAL . 63.9 m -63.34 -24.19 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 62.310000000000002 110.844 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 m -67.05 -13.59 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.8 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.349999999999994 110.896 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 6' ' ' SER . 12.3 p -65.11 -17.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.109 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -23.89 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.2 57.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.61 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 111.141 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.66 90.08 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -115.27 -26.21 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 61.299999999999997 110.869 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -84.58 -18.58 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 61.200000000000003 111.103 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.96 161.13 38.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 71.319999999999993 110.841 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.92 -23.83 20.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 54.210000000000001 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . 49.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.939 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.889 0.376 . . . . 74.540000000000006 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 18' ' ' LEU . 82.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.439999999999998 111.139 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.814 0.34 . . . . 55.119999999999997 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 44.439999999999998 111.062 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 64.409999999999997 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 52.119999999999997 111.094 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 74.340000000000003 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -70.81 -35.8 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 60.530000000000001 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.676 ' O ' HG12 ' A' ' 9' ' ' VAL . 2.2 t -64.13 -24.53 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 60.210000000000001 110.815 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.14 -11.82 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.893 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.53 -42.74 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 65.409999999999997 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 6' ' ' SER . 14.6 p -65.14 -19.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 111.13 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 70.439999999999998 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.46 -10.28 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.209999999999994 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.31 -8.61 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 111.153 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.64 85.31 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.140000000000001 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.7 p -110.8 -27.2 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.812 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -84.07 -18.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.230000000000004 111.152 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.93 157.27 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.120000000000005 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.44 -23.09 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 61.140000000000001 110.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 110.896 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.872 0.368 . . . . 64.209999999999994 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' LEU . 85.1 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 63.350000000000001 111.151 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.824 0.345 . . . . 70.140000000000001 111.13 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 41.450000000000003 111.068 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.246 . . . . 64.299999999999997 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 52.200000000000003 111.087 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.856 0.36 . . . . 73.230000000000004 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -70.57 -42.1 71.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 75.129999999999995 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.608 ' O ' HG12 ' A' ' 9' ' ' VAL . 36.3 t -64.14 -23.86 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 73.430000000000007 110.857 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -68.88 -12.09 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 70.129999999999995 110.872 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.67 -46.24 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.120000000000005 110.914 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 6' ' ' SER . 12.8 p -65.13 -19.09 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 111.098 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 44.310000000000002 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -10.12 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 51.229999999999997 111.105 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -9.33 57.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.230000000000004 111.075 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.03 96.17 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 53.520000000000003 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 p -116.35 -24.43 7.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 65.420000000000002 110.851 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.28 -18.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 52.310000000000002 111.149 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -141.77 170.78 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.329999999999998 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.07 -16.01 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 71.439999999999998 110.875 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 73.219999999999999 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 61.5 111.119 179.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.772 0.32 . . . . 74.209999999999994 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 65.430000000000007 111.115 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.472 -0.251 . . . . 72.120000000000005 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 62.119999999999997 111.095 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 72.120000000000005 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.593 ' O ' HD23 ' A' ' 8' ' ' LEU . 16.7 p90 -70.46 -29.13 65.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.671 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.2 p -61.69 -20.08 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 45.420000000000002 110.878 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.25 -11.72 61.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 62.43 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.4 pp -60.73 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 70.310000000000002 110.89 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 6' ' ' SER . 8.4 p -65.8 -25.57 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 55.530000000000001 111.143 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 m -67.02 -28.48 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -14.53 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.5 111.087 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.01 61.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.209999999999994 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.3 102.39 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.864 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 t -116.54 -25.67 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 70.439999999999998 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.78 -18.51 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 70.530000000000001 111.191 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -141.88 173.93 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 20' ' ' LEU . 4.2 mm? -102.75 -23.81 13.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 65.519999999999996 110.925 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 62.210000000000001 110.927 179.889 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD12 HD13 ' A' ' 17' ' ' LEU . 3.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.88 0.371 . . . . 75.510000000000005 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.14 179.824 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 74.200000000000003 111.094 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 111.118 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.458 -0.257 . . . . 73.340000000000003 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 71.150000000000006 111.103 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.861 0.362 . . . . 44.109999999999999 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -70.43 -42.91 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 65.430000000000007 110.944 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.587 ' O ' HG12 ' A' ' 9' ' ' VAL . 43.2 t -62.27 -24.26 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 63.140000000000001 110.843 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 m -69.26 -11.69 61.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.409999999999997 110.885 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.93 -46.4 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 73.030000000000001 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 6' ' ' SER . 10.8 p -65.12 -18.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 62.200000000000003 111.135 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -28.29 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 72.140000000000001 110.904 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.72 -9.94 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 63.409999999999997 111.073 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.15 57.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 41.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' HD12 ' A' ' 20' ' ' LEU . 4.3 m -74.77 122.08 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.3 m -135.24 -46.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.858 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.98 5.1 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 71.230000000000004 111.117 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.87 136.1 21.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.0 -26.75 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 75.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.937 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 13' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.5 110.919 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 64.239999999999995 111.179 179.803 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 64.409999999999997 111.067 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.485 -0.246 . . . . 55.439999999999998 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 30.039999999999999 111.08 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.844 0.355 . . . . 62.5 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.576 ' O ' HD23 ' A' ' 8' ' ' LEU . 12.8 m-90 -73.59 -31.0 63.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.662 ' O ' HG12 ' A' ' 9' ' ' VAL . 25.4 p -60.85 -19.56 60.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.420000000000002 110.856 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 m -68.98 -11.95 61.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 75.120000000000005 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 5' ' ' TRP . 3.0 pp -60.83 -24.81 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.109999999999999 110.931 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 6' ' ' SER . 8.5 p -65.6 -26.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.009999999999998 111.155 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.12 -27.8 67.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 43.140000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.28 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 54.350000000000001 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.63 -7.73 53.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 111.076 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.718 ' HB2' HD22 ' A' ' 20' ' ' LEU . 8.6 m -75.33 126.67 31.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 110.872 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -137.67 -41.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.109999999999999 110.886 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.1 m -82.33 -13.64 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 61.149999999999999 111.13 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.77 146.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.846 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 20' ' ' LEU . 66.2 tp -83.94 -21.68 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 75.450000000000003 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.530000000000001 110.874 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 ' HB2' ' A' ' 13' ' ' CYS . 1.7 mm? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 62.119999999999997 110.932 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 111.154 179.827 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.781 0.325 . . . . 73.230000000000004 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 111.114 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 55.020000000000003 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 64.040000000000006 111.09 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 71.420000000000002 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -70.47 -44.04 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.913 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.668 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.2 m -61.84 -24.14 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 72.129999999999995 110.876 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 m -69.1 -11.94 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.219999999999999 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.68 -44.57 93.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 54.119999999999997 110.905 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 6' ' ' SER . 12.0 p -65.13 -17.04 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.020000000000003 111.165 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -23.74 65.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.5 -10.24 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.07 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.78 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.219999999999999 111.07 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.68 81.27 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 62.5 110.85 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -106.97 -27.82 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.040000000000006 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.95 -18.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 147.98 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.519999999999996 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.91 -20.07 39.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.932 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.8 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.439999999999998 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 74.409999999999997 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 18' ' ' LEU . 87.9 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 64.439999999999998 111.177 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.817 0.341 . . . . 63.140000000000001 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.142 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.549 -0.22 . . . . 73.019999999999996 112.549 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 54.43 111.097 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.812 0.339 . . . . 72.540000000000006 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.589 ' O ' HD23 ' A' ' 8' ' ' LEU . 5.2 m-90 -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 64.030000000000001 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.685 ' O ' HG12 ' A' ' 9' ' ' VAL . 23.5 p -60.86 -20.52 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.832 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 m -68.65 -12.27 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.4 pp -60.85 -25.96 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 6' ' ' SER . 9.2 p -65.41 -26.49 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 111.117 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.8 m -67.1 -28.54 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 64.340000000000003 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.56 -14.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.35 -11.08 60.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.400000000000006 111.126 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.28 72.73 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 65.519999999999996 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -92.2 -28.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 52.229999999999997 110.869 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.6 -18.6 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.340000000000003 111.134 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -147.04 167.76 23.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 70.140000000000001 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD1' HD22 ' A' ' 20' ' ' LEU . 4.9 tp -98.26 -12.92 21.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 71.439999999999998 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' VAL . 9.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 61.039999999999999 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 17' ' ' LEU . 2.0 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.888 0.375 . . . . 60.32 110.926 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 18' ' ' LEU . 8.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 50.420000000000002 111.151 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 64.439999999999998 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 25.149999999999999 111.068 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.451 -0.26 . . . . 74.219999999999999 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 72.140000000000001 111.111 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 61.100000000000001 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -72.16 -40.81 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.450000000000003 110.948 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.722 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.0 t -63.97 -22.4 66.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.89 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -67.23 -13.38 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 64.25 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 62.5 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.722 HG12 ' O ' ' A' ' 6' ' ' SER . 7.8 p -65.13 -19.24 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 72.230000000000004 111.157 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.06 -28.06 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 61.130000000000003 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -15.26 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.340000000000003 111.121 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.29 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 63.219999999999999 111.126 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -75.33 85.69 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 55.25 110.859 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -104.7 -30.41 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.340000000000003 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.58 -18.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 111.129 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -145.21 158.52 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.349999999999994 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.99 -4.96 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.549999999999997 110.863 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' HG12 ' A' ' 21' ' ' VAL . 80.3 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 71.209999999999994 110.887 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.86 0.362 . . . . 54.329999999999998 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 18' ' ' LEU . 7.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.142 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.83 0.347 . . . . 61.439999999999998 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.549999999999997 111.088 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.5 -0.24 . . . . 50.130000000000003 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 62.200000000000003 111.069 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 61.439999999999998 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -70.42 -29.58 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.030000000000001 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.583 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.1 t -62.62 -22.59 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.450000000000003 110.883 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -69.42 -11.21 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 73.420000000000002 110.871 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.26 -43.89 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 63.350000000000001 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 6' ' ' SER . 11.6 p -65.2 -18.89 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 44.109999999999999 111.148 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -23.33 65.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.893 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.69 -9.71 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 63.229999999999997 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.48 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 30.140000000000001 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.47 81.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.892 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -107.13 -28.46 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.22 -18.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 62.119999999999997 111.086 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -141.96 137.45 31.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 63.420000000000002 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 20' ' ' LEU . 11.3 tp -74.14 -17.24 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' O ' HG12 ' A' ' 21' ' ' VAL . 34.0 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' A' ' 17' ' ' LEU . 3.0 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.351 . . . . 74.540000000000006 110.897 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 18' ' ' LEU . 7.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 63.130000000000003 111.097 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 65.450000000000003 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 44.140000000000001 111.151 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.515 -0.234 . . . . 75.340000000000003 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 64.129999999999995 111.094 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 74.319999999999993 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -70.42 -29.2 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.510000000000005 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 9' ' ' VAL . 22.2 p -63.82 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 60.310000000000002 110.868 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 m -69.47 -11.19 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.21 -44.03 95.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 62.229999999999997 110.932 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 6' ' ' SER . 11.1 p -65.26 -18.84 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 111.105 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -23.28 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.120000000000005 110.912 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.6 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 111.112 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.04 -8.72 55.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 42.200000000000003 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.54 75.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 54.329999999999998 110.865 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -102.71 -26.2 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.040000000000006 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -83.91 -18.58 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 74.140000000000001 111.114 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -146.07 147.2 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 110.885 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.15 -14.7 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 65.140000000000001 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 34.030000000000001 110.936 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.869 0.366 . . . . 74.150000000000006 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 18' ' ' LEU . 17.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 63.210000000000001 111.109 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.859 0.362 . . . . 52.310000000000002 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 34.310000000000002 111.102 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 64.349999999999994 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 74.230000000000004 111.142 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 63.299999999999997 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.52 -35.58 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.947 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.2 m -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.150000000000006 110.901 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 m -69.35 -11.42 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.329999999999998 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.66 -42.11 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.140000000000001 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 6' ' ' SER . 12.7 p -65.27 -20.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 44.5 111.125 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -26.07 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 64.310000000000002 110.882 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 -8.57 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -9.52 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 24.109999999999999 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.88 128.21 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.019999999999996 110.896 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 p -119.23 -74.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 110.851 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.39 -18.72 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 72.030000000000001 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -96.21 97.09 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.540000000000006 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.57 -25.8 40.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 75.099999999999994 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.932 179.9 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 74.540000000000006 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.099999999999994 111.142 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.773 0.32 . . . . 75.230000000000004 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 64.530000000000001 111.097 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.524 -0.23 . . . . 62.399999999999999 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 52.439999999999998 111.09 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.1 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.835 0.35 . . . . 63.439999999999998 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.596 ' O ' HD23 ' A' ' 8' ' ' LEU . 22.5 m-90 -73.53 -45.36 54.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 70.340000000000003 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 9' ' ' VAL . 2.2 t -60.84 -21.62 63.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 110.824 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -67.46 -13.27 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.5 110.885 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' TRP . 1.4 pp -64.33 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 64.329999999999998 110.913 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 6' ' ' SER . 8.8 p -65.12 -21.0 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 111.125 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.05 -26.13 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 40.009999999999998 110.857 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.2 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.439999999999998 111.134 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -21.62 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.085 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.2 m -77.48 60.16 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 53.130000000000003 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.8 t -65.24 -59.15 4.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.882 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -82.25 -18.75 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 61.219999999999999 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.57 166.32 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 110.923 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -115.42 -30.03 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 50.43 110.878 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.9 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 65.299999999999997 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.878 0.37 . . . . 73.030000000000001 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 18' ' ' LEU . 9.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 111.08 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.743 0.306 . . . . 54.509999999999998 111.084 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 73.540000000000006 111.067 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 75.319999999999993 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 55.43 111.072 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.788 0.328 . . . . 51.399999999999999 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -70.47 -44.29 68.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.926 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.542 ' O ' HG12 ' A' ' 9' ' ' VAL . 29.7 t -63.62 -24.14 67.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.409999999999997 110.857 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.09 -12.81 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 61.109999999999999 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.63 -49.72 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 40.32 110.933 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 6' ' ' SER . 11.3 p -64.94 -17.35 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 75.219999999999999 111.158 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -26.45 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.898 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -9.98 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 63.509999999999998 111.082 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.81 -9.69 58.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -75.1 96.29 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 51.439999999999998 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -94.91 -69.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.13 -18.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 65.510000000000005 111.183 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -96.82 93.72 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.76 -24.38 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.340000000000003 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.340000000000003 110.971 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 75.439999999999998 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 18' ' ' LEU . 12.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 111.139 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.765 0.317 . . . . 74.040000000000006 111.1 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 64.150000000000006 111.069 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.517 -0.233 . . . . 74.519999999999996 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 62.119999999999997 111.134 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 74.040000000000006 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.596 ' O ' HD23 ' A' ' 8' ' ' LEU . 29.3 m-90 -73.72 -36.66 65.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.917 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.64 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.4 t -60.91 -20.92 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 51.32 110.846 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 m -69.12 -11.89 61.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 61.039999999999999 110.856 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' TRP . 1.9 pp -62.47 -28.55 69.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 55.329999999999998 110.893 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 6' ' ' SER . 13.9 p -65.33 -24.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 71.040000000000006 111.147 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -67.11 -27.47 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.853 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -14.0 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.062 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 -16.24 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 111.096 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.6 m -75.25 102.02 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 64.450000000000003 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -117.81 -33.45 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 61.509999999999998 110.861 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.29 -18.64 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -142.85 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 70.209999999999994 110.858 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.25 -9.65 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 73.129999999999995 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' HG12 ' A' ' 21' ' ' VAL . 45.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.911 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 62.210000000000001 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 18' ' ' LEU . 9.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 111.124 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.774 0.321 . . . . 64.230000000000004 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 111.126 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.506 -0.238 . . . . 53.409999999999997 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 72.510000000000005 111.094 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.823 0.344 . . . . 54.450000000000003 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -70.52 -29.08 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.907 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.532 ' O ' HG12 ' A' ' 9' ' ' VAL . 7.2 t -64.41 -21.64 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.019999999999996 110.883 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -69.92 -10.16 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 65.129999999999995 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.56 -43.82 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 55.420000000000002 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 6' ' ' SER . 11.1 p -65.28 -18.46 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 63.210000000000001 111.159 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -22.46 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 75.140000000000001 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.99 -9.01 53.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -8.19 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 51.020000000000003 111.075 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.33 76.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.847 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -102.54 -26.94 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.340000000000003 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.43 -18.51 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.25 111.149 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -146.12 134.6 22.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 64.109999999999999 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.56 -14.96 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.519999999999996 110.95 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.5 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.040000000000006 110.927 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 74.140000000000001 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 18' ' ' LEU . 18.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.340000000000003 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.804 0.335 . . . . 74.129999999999995 111.109 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 75.109999999999999 111.134 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.248 . . . . 54.340000000000003 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 71.019999999999996 111.111 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.793 0.33 . . . . 75.120000000000005 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.585 ' O ' HD23 ' A' ' 8' ' ' LEU . 4.7 m-90 -72.82 -28.89 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.611 ' O ' HG12 ' A' ' 9' ' ' VAL . 34.4 p -61.08 -21.21 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 110.868 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.5 -10.94 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 110.868 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.1 pp -60.32 -35.48 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 54.200000000000003 110.897 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 6' ' ' SER . 11.8 p -65.33 -21.46 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 64.040000000000006 111.123 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -22.94 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 64.310000000000002 110.828 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.4 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 42.100000000000001 111.084 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -7.67 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 71.439999999999998 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.01 80.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.349999999999994 110.847 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 p -103.44 -32.74 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 63.509999999999998 110.826 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.2 t -83.57 -18.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 62.100000000000001 111.138 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -141.69 117.46 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 64.129999999999995 110.867 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.31 -18.85 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 71.239999999999995 110.904 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.4 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.889 0.376 . . . . 64.540000000000006 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 18' ' ' LEU . 7.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.120000000000005 111.148 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.759 0.314 . . . . 72.340000000000003 111.093 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 111.135 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.465 -0.254 . . . . 72.239999999999995 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 64.120000000000005 111.106 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 74.040000000000006 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.43 ' O ' HG23 ' A' ' 3' ' ' THR . 36.7 p-90 -60.21 150.89 28.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.889 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -171.12 177.47 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 50.539999999999999 111.14 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.4 m -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.200000000000003 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -71.73 -40.81 69.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.715 ' O ' HG12 ' A' ' 9' ' ' VAL . 66.8 m -64.32 -22.09 66.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 42.520000000000003 110.841 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.5 m -68.1 -13.02 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 61.43 110.867 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.897 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 6' ' ' SER . 9.2 p -65.08 -20.2 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 111.121 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.0 m -67.15 -29.93 69.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 75.219999999999999 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 111.073 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.5 -12.2 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 m -75.37 95.88 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 62.409999999999997 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 t -116.36 -25.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.230000000000004 110.876 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.41 -18.58 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 40.240000000000002 111.141 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -141.87 179.07 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -107.05 -22.67 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 62.310000000000002 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.0 -49.3 71.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.400000000000006 110.956 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -17.71 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 62.299999999999997 110.922 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.57 -33.36 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 64.219999999999999 111.139 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.28 -29.64 15.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 54.119999999999997 111.141 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -33.01 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.019999999999996 111.093 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.01 42.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.755 . . . . 62.399999999999999 112.461 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.19 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 64.120000000000005 111.13 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.9 p -81.14 -41.78 21.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 73.239999999999995 111.13 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.95 55.62 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 72.209999999999994 111.105 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 54.039999999999999 110.832 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 72.219999999999999 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.495 ' O ' HG23 ' A' ' 3' ' ' THR . 28.7 m95 -60.6 -56.93 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 73.530000000000001 110.922 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -170.45 137.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 61.409999999999997 111.144 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' HB3' HG23 ' A' ' 29' ' ' THR . 75.3 m -65.97 -22.95 66.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 62.229999999999997 110.87 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -70.43 -46.4 63.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.693 ' O ' HG12 ' A' ' 9' ' ' VAL . 15.5 t -62.03 -24.56 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.319999999999993 110.889 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.99 -13.62 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 70.129999999999995 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.59 -45.61 89.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 74.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 6' ' ' SER . 11.8 p -65.17 -17.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.439999999999998 111.076 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -23.95 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.916 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -10.17 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.12 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -8.91 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 111.148 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.67 99.77 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -99.95 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 53.100000000000001 110.828 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.95 -18.57 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 64.109999999999999 111.154 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -95.96 92.06 6.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 74.329999999999998 110.94 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 tp -52.09 -34.1 42.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 110.939 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -58.51 -46.11 87.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 71.150000000000006 110.922 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.74 -23.85 45.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.239999999999995 110.875 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.65 -25.95 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 62.43 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.29 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.350000000000001 111.111 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.61 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 52.43 111.08 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.35 -21.55 41.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 74.400000000000006 112.524 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.03 -24.21 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 65.329999999999998 111.094 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 4' ' ' CYS . 28.0 p -78.36 -25.17 46.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 61.140000000000001 111.118 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.19 -26.26 33.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 52.030000000000001 111.106 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.200000000000003 110.844 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.818 0.342 . . . . 74.409999999999997 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.39 112.58 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.916 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -66.81 137.3 56.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 45.399999999999999 111.148 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HB3' HG23 ' A' ' 29' ' ' THR . 72.5 m -67.43 -23.29 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 51.409999999999997 110.872 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -70.47 -45.82 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.9 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.3 m -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 70.109999999999999 110.835 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.81 -13.77 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.349999999999994 110.937 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 73.409999999999997 110.934 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 6' ' ' SER . 10.3 p -65.0 -17.71 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.319999999999993 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -26.57 66.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.886 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.28 57.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 111.071 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -8.56 54.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 64.129999999999995 111.077 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.69 90.59 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 43.520000000000003 110.886 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -116.18 -25.14 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 63.509999999999998 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.4 t -85.27 -17.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 70.120000000000005 111.109 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -141.82 174.19 10.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 75.010000000000005 110.853 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -103.0 -22.9 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 60.509999999999998 110.904 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.08 -50.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 63.43 110.897 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' HD13 ' A' ' 17' ' ' LEU . 3.3 tp -57.08 -23.79 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 110.935 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.68 -28.62 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 70.409999999999997 111.11 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.81 -27.12 27.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 74.25 111.04 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.48 -31.63 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 65.349999999999994 111.086 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.39 -25.42 33.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 74.549999999999997 112.505 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.76 -25.32 54.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.781 0.324 . . . . 70.349999999999994 111.102 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.451 HG23 ' HB3' ' A' ' 4' ' ' CYS . 29.0 p -78.17 -25.05 47.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 70.329999999999998 111.151 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.07 -22.62 36.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 44.350000000000001 111.13 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.329999999999998 110.857 -179.799 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 75.530000000000001 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.498 ' O ' HG23 ' A' ' 3' ' ' THR . 12.8 m-90 -62.38 -51.19 68.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.934 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -172.02 151.48 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 74.120000000000005 111.185 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.427 ' HB3' HG23 ' A' ' 29' ' ' THR . 91.0 m -64.75 -23.62 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 63.140000000000001 110.855 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -71.3 -42.94 68.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.707 ' O ' HG12 ' A' ' 9' ' ' VAL . 63.9 m -63.34 -24.19 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 62.310000000000002 110.844 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 m -67.05 -13.59 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.8 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.349999999999994 110.896 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 6' ' ' SER . 12.3 p -65.11 -17.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.109 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -23.89 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -10.2 57.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -8.61 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 111.141 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.66 90.08 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.0 p -115.27 -26.21 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 61.299999999999997 110.869 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.9 m -84.58 -18.58 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 61.200000000000003 111.103 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.96 161.13 38.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 71.319999999999993 110.841 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.92 -23.83 20.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 54.210000000000001 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . 49.0 mt -55.1 -53.81 51.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.939 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tp -56.95 -23.48 45.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.540000000000006 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 18' ' ' LEU . 82.0 t -61.55 -25.99 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.439999999999998 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.81 -26.99 26.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 55.119999999999997 111.13 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.51 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 44.439999999999998 111.062 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.14 -20.69 43.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 64.409999999999997 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -24.34 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 52.119999999999997 111.094 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 4' ' ' CYS . 21.4 p -78.25 -25.21 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 72.400000000000006 111.098 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.96 -29.63 26.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 74.209999999999994 111.147 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 110.859 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 62.420000000000002 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -175.37 148.89 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 61.32 110.935 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.714 HG23 ' H ' ' A' ' 6' ' ' SER . 9.6 t -171.89 154.29 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 73.230000000000004 111.139 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.0 m -64.91 -23.66 67.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.861 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -70.81 -35.8 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 60.530000000000001 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.714 ' H ' HG23 ' A' ' 3' ' ' THR . 2.2 t -64.13 -24.53 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 60.210000000000001 110.815 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.14 -11.82 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.893 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.53 -42.74 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 65.409999999999997 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 6' ' ' SER . 14.6 p -65.14 -19.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 111.13 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 70.439999999999998 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.46 -10.28 57.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.209999999999994 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.31 -8.61 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 111.153 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.64 85.31 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.140000000000001 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 95.7 p -110.8 -27.2 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.812 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -84.07 -18.58 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.230000000000004 111.152 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.93 157.27 45.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 73.120000000000005 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.44 -23.09 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 61.140000000000001 110.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 mm? -55.13 -54.4 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 110.896 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -56.94 -23.36 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 64.209999999999994 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' LEU . 85.1 t -61.56 -26.58 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 63.350000000000001 111.151 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.25 -26.54 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 70.140000000000001 111.13 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.19 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 41.450000000000003 111.068 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.2 -20.53 43.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 64.299999999999997 112.484 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.45 53.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 52.200000000000003 111.087 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -79.05 -25.09 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 55.439999999999998 111.137 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.89 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 111.112 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 110.878 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.777 0.322 . . . . 75.310000000000002 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -174.44 135.43 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.944 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.696 HG23 ' H ' ' A' ' 6' ' ' SER . 5.8 t -172.21 162.17 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 54.140000000000001 111.123 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -66.21 -24.62 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 73.230000000000004 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -70.57 -42.1 71.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 75.129999999999995 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.696 ' H ' HG23 ' A' ' 3' ' ' THR . 36.3 t -64.14 -23.86 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 73.430000000000007 110.857 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.6 m -68.88 -12.09 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 70.129999999999995 110.872 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.67 -46.24 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.120000000000005 110.914 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 6' ' ' SER . 12.8 p -65.13 -19.09 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 111.098 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 44.310000000000002 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -10.12 57.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 51.229999999999997 111.105 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -9.33 57.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.230000000000004 111.075 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.03 96.17 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 53.520000000000003 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 p -116.35 -24.43 7.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 65.420000000000002 110.851 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.28 -18.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 52.310000000000002 111.149 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -141.77 170.78 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.329999999999998 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.07 -16.01 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.15 -49.97 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 71.439999999999998 110.875 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -53.91 -26.92 27.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 110.941 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.97 -35.92 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 61.5 111.119 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.94 19.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 111.06 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.3 -30.32 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 65.430000000000007 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.18 -21.87 41.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 72.120000000000005 112.472 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -24.41 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 62.119999999999997 111.095 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -78.29 -36.38 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 64.400000000000006 111.145 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.86 62.86 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.200000000000003 111.128 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.530000000000001 110.838 -179.787 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 64.099999999999994 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.434 ' O ' HG23 ' A' ' 3' ' ' THR . 8.6 m0 -59.42 -43.01 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.96 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.654 HG21 ' CZ2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -170.16 178.85 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 63.039999999999999 111.19 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.24 -42.56 93.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 72.120000000000005 110.881 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.654 ' CZ2' HG21 ' A' ' 3' ' ' THR . 16.7 p90 -70.46 -29.13 65.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.671 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.2 p -61.69 -20.08 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 45.420000000000002 110.878 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 56.7 m -69.25 -11.72 61.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 62.43 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.4 pp -60.73 -25.77 66.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 70.310000000000002 110.89 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 6' ' ' SER . 8.4 p -65.8 -25.57 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 55.530000000000001 111.143 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 m -67.02 -28.48 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -14.53 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.5 111.087 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.01 61.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.209999999999994 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 m -75.3 102.39 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.864 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.2 t -116.54 -25.67 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 70.439999999999998 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.78 -18.51 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 70.530000000000001 111.191 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -141.88 173.93 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 20' ' ' LEU . 4.2 mm? -102.75 -23.81 13.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 65.519999999999996 110.925 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.28 -48.72 73.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 62.210000000000001 110.927 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD12 HD13 ' A' ' 17' ' ' LEU . 3.6 mt -78.6 -17.61 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 75.510000000000005 110.906 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.51 -26.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 111.14 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.64 -28.62 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.094 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.7 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.47 -17.36 47.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 73.340000000000003 112.458 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.32 -26.29 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 71.150000000000006 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.33 -22.87 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 53.350000000000001 111.163 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.37 -24.48 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.409999999999997 111.118 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 65.430000000000007 110.869 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.806 0.336 . . . . 63.229999999999997 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -61.4 116.96 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -69.5 135.3 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 73.439999999999998 111.181 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.649 ' HB3' HG23 ' A' ' 29' ' ' THR . 77.2 m -65.91 -23.07 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 44.109999999999999 110.89 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -70.43 -42.91 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 65.430000000000007 110.944 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.587 ' O ' HG12 ' A' ' 9' ' ' VAL . 43.2 t -62.27 -24.26 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 63.140000000000001 110.843 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.3 m -69.26 -11.69 61.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.409999999999997 110.885 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.93 -46.4 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 73.030000000000001 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 6' ' ' SER . 10.8 p -65.12 -18.26 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 62.200000000000003 111.135 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -28.29 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 72.140000000000001 110.904 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.72 -9.94 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 63.409999999999997 111.073 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.15 57.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 41.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' HD12 ' A' ' 20' ' ' LEU . 4.3 m -74.77 122.08 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.3 m -135.24 -46.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.858 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.98 5.1 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 71.230000000000004 111.117 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.87 136.1 21.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.0 -26.75 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 75.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mt -56.14 -45.91 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.937 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -56.33 -24.5 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.919 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.74 -31.09 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 64.239999999999995 111.179 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.17 -28.87 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 71.349999999999994 111.129 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.48 -29.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 64.409999999999997 111.067 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.45 -20.37 44.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 55.439999999999998 112.485 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -24.93 57.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 30.039999999999999 111.08 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 4' ' ' CYS . 34.1 p -80.99 -42.85 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 54.299999999999997 111.138 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.83 -75.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 61.340000000000003 111.061 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 61.219999999999999 110.87 -179.751 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.815 0.34 . . . . 75.310000000000002 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -59.53 117.96 5.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 71.140000000000001 110.913 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.2 p -69.5 146.53 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 44.210000000000001 111.143 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.74 -24.3 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 62.5 110.927 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.576 ' O ' HD23 ' A' ' 8' ' ' LEU . 12.8 m-90 -73.59 -31.0 63.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.662 ' O ' HG12 ' A' ' 9' ' ' VAL . 25.4 p -60.85 -19.56 60.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.420000000000002 110.856 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 m -68.98 -11.95 61.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 75.120000000000005 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 5' ' ' TRP . 3.0 pp -60.83 -24.81 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.109999999999999 110.931 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 6' ' ' SER . 8.5 p -65.6 -26.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.009999999999998 111.155 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.12 -27.8 67.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 43.140000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -13.28 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 54.350000000000001 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.63 -7.73 53.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 111.076 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.718 ' HB2' HD22 ' A' ' 20' ' ' LEU . 8.6 m -75.33 126.67 31.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 110.872 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -137.67 -41.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.109999999999999 110.886 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.1 m -82.33 -13.64 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 61.149999999999999 111.13 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.77 146.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.846 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 20' ' ' LEU . 66.2 tp -83.94 -21.68 31.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 75.450000000000003 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.16 -42.44 73.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.530000000000001 110.874 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 ' HB2' ' A' ' 13' ' ' CYS . 1.7 mm? -65.81 -17.81 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 62.119999999999997 110.932 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.55 -36.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 111.154 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.79 -28.47 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -31.39 53.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -25.43 71.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 55.020000000000003 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.34 -24.06 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 64.040000000000006 111.09 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -78.99 -26.38 43.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 111.158 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.29 -50.58 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.099999999999994 111.134 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.400000000000006 110.853 -179.801 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 70.219999999999999 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.504 ' O ' HG23 ' A' ' 3' ' ' THR . 89.1 m95 -63.21 -64.97 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.530000000000001 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -170.25 141.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 74.510000000000005 111.162 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.1 -22.55 65.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 71.420000000000002 110.864 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -70.47 -44.04 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.913 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.668 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.2 m -61.84 -24.14 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 72.129999999999995 110.876 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 m -69.1 -11.94 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.219999999999999 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.68 -44.57 93.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 54.119999999999997 110.905 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 6' ' ' SER . 12.0 p -65.13 -17.04 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.020000000000003 111.165 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -23.74 65.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.5 -10.24 57.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.07 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.78 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.219999999999999 111.07 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.476 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 0.9 OUTLIER -74.68 81.27 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 62.5 110.85 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -106.97 -27.82 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.040000000000006 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.95 -18.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 111.161 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 147.98 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 73.519999999999996 110.935 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.91 -20.07 39.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.932 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.8 tp -57.18 -54.22 49.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.439999999999998 110.894 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . 1.476 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.5 -21.98 60.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 18' ' ' LEU . 87.9 t -61.62 -27.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 64.439999999999998 111.177 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.34 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 63.140000000000001 111.141 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.43 -28.02 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.142 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.38 -21.47 41.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 73.019999999999996 112.549 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.59 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 54.43 111.097 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.5 p -78.2 -24.67 47.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 62.420000000000002 111.13 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.72 -22.35 43.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 70.120000000000005 111.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 65.120000000000005 110.879 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.35 . . . . 73.209999999999994 110.824 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.429 ' O ' HG23 ' A' ' 3' ' ' THR . 80.7 t90 -60.51 114.49 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.010000000000005 110.936 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -171.71 129.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 74.150000000000006 111.106 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.61 -25.88 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.589 ' O ' HD23 ' A' ' 8' ' ' LEU . 5.2 m-90 -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 64.030000000000001 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.685 ' O ' HG12 ' A' ' 9' ' ' VAL . 23.5 p -60.86 -20.52 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.832 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 m -68.65 -12.27 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.4 pp -60.85 -25.96 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 6' ' ' SER . 9.2 p -65.41 -26.49 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 111.117 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.8 m -67.1 -28.54 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 64.340000000000003 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.56 -14.75 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.35 -11.08 60.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.400000000000006 111.126 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.28 72.73 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 65.519999999999996 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -92.2 -28.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 52.229999999999997 110.869 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.6 -18.6 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.340000000000003 111.134 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -147.04 167.76 23.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 70.140000000000001 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD1' HD22 ' A' ' 20' ' ' LEU . 4.9 tp -98.26 -12.92 21.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 71.439999999999998 110.9 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' VAL . 9.9 tp -56.48 -57.5 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 61.039999999999999 110.899 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 17' ' ' LEU . 2.0 tp -64.75 -17.54 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 60.32 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.981 HG13 HG23 ' A' ' 22' ' ' 2TL . 8.2 p -61.45 -30.67 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 50.420000000000002 111.151 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 0.981 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.49 -28.59 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 64.439999999999998 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.34 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 25.149999999999999 111.068 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.26 -24.0 70.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 74.219999999999999 112.451 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.45 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 72.140000000000001 111.111 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -81.25 -22.82 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 62.509999999999998 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.35 -24.59 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 71.230000000000004 111.099 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.913 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 65.510000000000005 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.439 ' O ' HG23 ' A' ' 3' ' ' THR . 5.2 m-90 -61.91 130.95 48.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 73.010000000000005 110.878 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -172.34 137.97 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.340000000000003 111.119 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.522 ' HB3' HG23 ' A' ' 29' ' ' THR . 94.2 m -67.38 -24.64 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.100000000000001 110.85 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -72.16 -40.81 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.450000000000003 110.948 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.722 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.0 t -63.97 -22.4 66.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.89 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.9 m -67.23 -13.38 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 64.25 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 62.5 110.945 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.722 HG12 ' O ' ' A' ' 6' ' ' SER . 7.8 p -65.13 -19.24 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 72.230000000000004 111.157 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.06 -28.06 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 61.130000000000003 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -15.26 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.340000000000003 111.121 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.29 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 63.219999999999999 111.126 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -75.33 85.69 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 55.25 110.859 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -104.7 -30.41 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.340000000000003 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t -82.58 -18.6 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 111.129 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -145.21 158.52 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 75.349999999999994 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.99 -4.96 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.549999999999997 110.863 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' HG12 ' A' ' 21' ' ' VAL . 80.3 mt -58.74 -61.03 2.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 71.209999999999994 110.887 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . 0.444 ' HB2' HG12 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.32 -17.39 63.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 54.329999999999998 110.882 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.995 HG13 HG23 ' A' ' 22' ' ' 2TL . 7.6 p -61.24 -30.61 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.142 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 0.995 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.78 -29.73 12.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 61.439999999999998 111.105 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.549999999999997 111.088 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.03 -28.62 53.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 50.130000000000003 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -24.26 52.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 62.200000000000003 111.069 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.522 HG23 ' HB3' ' A' ' 4' ' ' CYS . 31.5 p -78.39 -41.59 32.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 111.132 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.99 56.42 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 111.098 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.87 -179.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.791 0.329 . . . . 74.019999999999996 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 3' ' ' THR . 6.5 m-90 -61.65 121.24 12.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 73.049999999999997 110.881 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -169.76 131.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 72.120000000000005 111.132 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.9 m -66.11 -23.63 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 61.439999999999998 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -70.42 -29.58 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.030000000000001 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.583 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.1 t -62.62 -22.59 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.450000000000003 110.883 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -69.42 -11.21 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 73.420000000000002 110.871 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.26 -43.89 95.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 63.350000000000001 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 6' ' ' SER . 11.6 p -65.2 -18.89 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 44.109999999999999 111.148 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -23.33 65.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.893 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.69 -9.71 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 63.229999999999997 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.48 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 30.140000000000001 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.47 81.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.892 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 p -107.13 -28.46 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.22 -18.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 62.119999999999997 111.086 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -141.96 137.45 31.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 63.420000000000002 110.928 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 20' ' ' LEU . 11.3 tp -74.14 -17.24 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' O ' HG12 ' A' ' 21' ' ' VAL . 34.0 mt -58.86 -56.76 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.25 110.899 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . 0.408 ' HB2' HG12 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' A' ' 17' ' ' LEU . 3.0 tp -57.15 -22.88 43.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 74.540000000000006 110.897 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.036 HG13 HG23 ' A' ' 22' ' ' 2TL . 7.5 p -61.53 -26.05 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 63.130000000000003 111.097 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 1.036 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -29.22 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 65.450000000000003 111.089 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.06 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 44.140000000000001 111.151 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.35 52.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.340000000000003 112.515 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -25.22 58.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 64.129999999999995 111.094 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.48 -23.51 37.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.510000000000005 111.155 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.36 -24.54 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 52.32 111.117 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 62.409999999999997 110.881 -179.827 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 61.119999999999997 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.68 -55.5 26.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 72.099999999999994 110.924 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.78 129.18 39.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 62.549999999999997 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m -65.69 -24.25 66.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.891 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -70.42 -29.2 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.510000000000005 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 9' ' ' VAL . 22.2 p -63.82 -22.6 66.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 60.310000000000002 110.868 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 m -69.47 -11.19 60.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.21 -44.03 95.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 62.229999999999997 110.932 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 6' ' ' SER . 11.1 p -65.26 -18.84 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 111.105 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -23.28 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.120000000000005 110.912 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.68 -9.6 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 111.112 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.04 -8.72 55.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 42.200000000000003 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.54 75.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 54.329999999999998 110.865 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -102.71 -26.2 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.040000000000006 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.9 t -83.91 -18.58 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 74.140000000000001 111.114 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -146.07 147.2 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 110.885 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -80.15 -14.7 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 65.140000000000001 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -58.77 -58.43 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 34.030000000000001 110.936 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp -57.02 -23.32 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 74.150000000000006 110.937 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.034 HG23 HG23 ' A' ' 22' ' ' 2TL . 17.8 m -61.63 -26.17 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 63.210000000000001 111.109 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 1.034 HG23 HG23 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.98 -29.33 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 52.310000000000002 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.57 -27.98 29.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 34.310000000000002 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.04 52.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 64.349999999999994 112.483 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -24.81 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 74.230000000000004 111.142 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -81.63 -23.71 36.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 111.137 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 55.25 111.086 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 61.009999999999998 110.854 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.789 0.328 . . . . 74.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -62.02 120.68 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 62.350000000000001 110.941 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.29 162.2 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 64.219999999999999 111.1 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.3 -22.12 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 63.299999999999997 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -70.52 -35.58 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.947 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.2 m -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.150000000000006 110.901 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 m -69.35 -11.42 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.329999999999998 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.66 -42.11 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 72.140000000000001 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 6' ' ' SER . 12.7 p -65.27 -20.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 44.5 111.125 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -26.07 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 64.310000000000002 110.882 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 -8.57 51.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -9.52 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 24.109999999999999 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.474 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 1.7 m -74.88 128.21 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.019999999999996 110.896 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 p -119.23 -74.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 110.851 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.39 -18.72 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 72.030000000000001 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -96.21 97.09 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.540000000000006 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.57 -25.8 40.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 75.099999999999994 110.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.74 -51.94 66.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . 1.474 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -27.48 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.540000000000006 110.876 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.92 -29.27 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.099999999999994 111.142 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -28.61 20.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.28 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 64.530000000000001 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.63 -21.08 57.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 62.399999999999999 112.524 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.09 -24.75 56.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 52.439999999999998 111.09 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.0 p -79.78 -26.85 40.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 70.310000000000002 111.154 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.76 -63.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.134 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.841 -179.777 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.793 0.33 . . . . 70.450000000000003 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.418 ' O ' HG23 ' A' ' 3' ' ' THR . 3.3 m0 -60.55 125.51 23.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 73.040000000000006 110.906 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -172.28 157.04 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 64.439999999999998 111.137 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.505 ' HB3' HG23 ' A' ' 29' ' ' THR . 79.1 m -64.87 -24.27 67.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.439999999999998 110.904 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.596 ' O ' HD23 ' A' ' 8' ' ' LEU . 22.5 m-90 -73.53 -45.36 54.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 70.340000000000003 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 9' ' ' VAL . 2.2 t -60.84 -21.62 63.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 110.824 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -67.46 -13.27 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.5 110.885 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' TRP . 1.4 pp -64.33 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 64.329999999999998 110.913 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 6' ' ' SER . 8.8 p -65.12 -21.0 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 111.125 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.05 -26.13 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 40.009999999999998 110.857 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.2 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.439999999999998 111.134 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.16 -21.62 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.085 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.2 m -77.48 60.16 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 53.130000000000003 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.8 t -65.24 -59.15 4.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.882 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -82.25 -18.75 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 61.219999999999999 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.57 166.32 11.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 110.923 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -115.42 -30.03 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 50.43 110.878 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.9 mp -58.87 -55.5 34.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 65.299999999999997 110.921 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.71 -17.34 64.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 73.030000000000001 110.942 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 22' ' ' 2TL . 9.9 p -61.42 -30.54 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 111.08 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 1.049 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.89 -29.83 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 54.509999999999998 111.084 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.03 -34.91 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 73.540000000000006 111.067 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.04 -26.31 34.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.744 . . . . 75.319999999999993 112.496 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 -24.59 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 55.43 111.072 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 4' ' ' CYS . 75.7 p -78.32 -41.43 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 111.112 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.84 55.04 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 31.550000000000001 111.128 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 110.84 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.3 . . . . 54.539999999999999 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -63.65 -29.7 70.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 110.903 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 5' ' ' TRP . 2.0 m -69.53 137.34 52.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.209999999999994 111.106 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.25 -23.97 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 51.399999999999999 110.838 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.412 ' H ' HG22 ' A' ' 3' ' ' THR . 4.2 m-90 -70.47 -44.29 68.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.926 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.542 ' O ' HG12 ' A' ' 9' ' ' VAL . 29.7 t -63.62 -24.14 67.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.409999999999997 110.857 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -68.09 -12.81 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 61.109999999999999 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.63 -49.72 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 40.32 110.933 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 6' ' ' SER . 11.3 p -64.94 -17.35 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 75.219999999999999 111.158 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -26.45 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.898 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -9.98 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 63.509999999999998 111.082 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.81 -9.69 58.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.467 ' SG ' ' CA ' ' A' ' 19' ' ' DSG . 2.1 m -75.1 96.29 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 51.439999999999998 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -94.91 -69.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 110.839 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.13 -18.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 65.510000000000005 111.183 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -96.82 93.72 6.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.76 -24.38 35.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.340000000000003 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.1 mm? -59.37 -54.6 44.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.340000000000003 110.971 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . 1.467 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.76 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 75.439999999999998 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.065 HG23 HG23 ' A' ' 22' ' ' 2TL . 12.0 m -61.72 -29.2 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 111.139 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 1.065 HG23 HG23 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -28.81 21.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.040000000000006 111.1 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.25 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 64.150000000000006 111.069 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.23 -24.47 36.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 74.519999999999996 112.517 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.09 -25.12 58.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 62.119999999999997 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.0 p -78.59 -42.06 30.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.530000000000001 111.161 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.02 54.93 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 65.049999999999997 111.111 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.109999999999999 110.83 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 74.530000000000001 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -62.26 -30.52 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -69.43 132.02 45.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 73.219999999999999 111.119 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.3 m -65.94 -24.52 66.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.596 ' O ' HD23 ' A' ' 8' ' ' LEU . 29.3 m-90 -73.72 -36.66 65.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.917 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.64 ' O ' HG12 ' A' ' 9' ' ' VAL . 3.4 t -60.91 -20.92 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 51.32 110.846 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.0 m -69.12 -11.89 61.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 61.039999999999999 110.856 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' TRP . 1.9 pp -62.47 -28.55 69.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 55.329999999999998 110.893 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 6' ' ' SER . 13.9 p -65.33 -24.13 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 71.040000000000006 111.147 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m -67.11 -27.47 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.853 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -14.0 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.062 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 -16.24 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 111.096 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.6 m -75.25 102.02 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 64.450000000000003 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -117.81 -33.45 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 61.509999999999998 110.861 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.29 -18.64 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 111.124 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -142.85 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 70.209999999999994 110.858 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.25 -9.65 44.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 73.129999999999995 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' HG12 ' A' ' 21' ' ' VAL . 45.6 mt -57.34 -60.47 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.911 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -17.39 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 62.210000000000001 110.91 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.03 HG13 HG23 ' A' ' 22' ' ' 2TL . 9.4 p -61.27 -30.15 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 111.124 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 1.03 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.73 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 64.230000000000004 111.093 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.69 65.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 111.126 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.26 -25.93 67.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 53.409999999999997 112.506 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -24.38 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 72.510000000000005 111.094 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.2 p -79.14 -25.09 42.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.25 111.141 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.93 -25.55 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.400000000000006 111.075 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 110.866 -179.78 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 73.010000000000005 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -61.58 115.33 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.540000000000006 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.691 HG21 ' CZ2' ' A' ' 5' ' ' TRP . 78.2 p -66.73 166.29 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 111.192 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HB3' HG23 ' A' ' 29' ' ' THR . 19.2 m -67.88 -41.93 82.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 54.450000000000003 110.861 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.691 ' CZ2' HG21 ' A' ' 3' ' ' THR . 15.4 p90 -70.52 -29.08 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.532 ' O ' HG12 ' A' ' 9' ' ' VAL . 7.2 t -64.41 -21.64 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.019999999999996 110.883 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 m -69.92 -10.16 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 65.129999999999995 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.56 -43.82 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 55.420000000000002 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 6' ' ' SER . 11.1 p -65.28 -18.46 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 63.210000000000001 111.159 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -22.46 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 75.140000000000001 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.99 -9.01 53.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -8.19 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 51.020000000000003 111.075 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.33 76.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.847 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -102.54 -26.94 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.340000000000003 110.868 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.43 -18.51 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.25 111.149 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -146.12 134.6 22.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 64.109999999999999 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.56 -14.96 62.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.519999999999996 110.95 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.5 mm? -58.51 -51.87 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.040000000000006 110.927 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . 0.456 ' HB2' HG22 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.97 -23.22 44.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.001 HG23 HG23 ' A' ' 22' ' ' 2TL . 18.0 m -61.66 -25.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 73.340000000000003 111.14 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 1.001 HG23 HG23 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.65 20.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 111.109 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.59 -26.5 32.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 75.109999999999999 111.134 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.9 -17.55 43.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 54.340000000000003 112.479 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.78 -27.34 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 71.019999999999996 111.111 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 4' ' ' CYS . 34.4 p -78.33 -25.26 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 73.310000000000002 111.138 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.78 -26.71 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.329999999999998 111.129 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.140000000000001 110.875 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 64.319999999999993 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.7 p90 -60.72 155.29 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 73.329999999999998 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' H ' ' A' ' 6' ' ' SER . 4.8 t -172.21 159.59 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 111.133 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 110.827 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.585 ' O ' HD23 ' A' ' 8' ' ' LEU . 4.7 m-90 -72.82 -28.89 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.611 ' O ' HG12 ' A' ' 9' ' ' VAL . 34.4 p -61.08 -21.21 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 110.868 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.5 -10.94 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 110.868 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 5' ' ' TRP . 2.1 pp -60.32 -35.48 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 54.200000000000003 110.897 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 6' ' ' SER . 11.8 p -65.33 -21.46 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 64.040000000000006 111.123 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -22.94 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 64.310000000000002 110.828 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.4 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 42.100000000000001 111.084 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.41 -7.67 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 71.439999999999998 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.01 80.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.349999999999994 110.847 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 p -103.44 -32.74 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 63.509999999999998 110.826 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.2 t -83.57 -18.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 62.100000000000001 111.138 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -141.69 117.46 10.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 64.129999999999995 110.867 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.31 -18.85 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 71.239999999999995 110.904 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.4 mp -58.85 -45.11 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.867 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' DSG . . . . . 0.442 ' HB2' HG12 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -22.24 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 64.540000000000006 110.958 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.015 HG13 HG23 ' A' ' 22' ' ' 2TL . 7.2 p -61.37 -24.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 70.120000000000005 111.148 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' 2TL . . . . . 1.015 HG23 HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.29 -25.96 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.340000000000003 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.32 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 111.135 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' 2TL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -20.48 53.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 72.239999999999995 112.465 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.57 56.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 64.120000000000005 111.106 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -79.32 -23.2 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 111.168 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.46 -12.57 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 111.106 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 50.310000000000002 110.876 -179.754 . . . . . . . . 0 0 . 1 stop_ save_