data_2n0g_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 2n0g _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -61.58 -44.37 97.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.22 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.65 -31.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -34.38 89.71 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -80.06 -27.46 39.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt -78.23 -58.02 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.907 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.42 -38.1 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.21 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.6 -25.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.82 -28.23 57.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -88.38 -49.03 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -55.22 -40.72 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.869 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -67.61 -42.87 81.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.4 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.24 -28.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.56 -24.23 76.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -89.13 -43.54 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.31 -44.89 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -60.83 -47.28 87.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.66 73.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.04 -25.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.52 -36.71 54.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.33 -29.76 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.4 mt -67.05 -31.6 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.6 tmm? . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.87 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.322 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -71.11 -42.27 69.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.19 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -54.23 -27.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.7 -28.35 51.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.479 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -90.12 -33.63 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.03 -35.02 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.0 -51.43 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.56 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.51 -27.78 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.36 76.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -96.63 -41.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.22 -34.9 79.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.798 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.333 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.33 -45.95 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.37 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.81 -25.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.14 -24.8 45.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.96 -34.88 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 mt -71.37 -57.07 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.5 mmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.907 179.767 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -52.41 -41.49 63.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.95 -25.59 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -20.82 58.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.56 -28.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.78 -28.59 65.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.7 -45.68 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.01 -26.06 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.16 -31.79 41.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -84.26 -33.57 24.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.18 -51.14 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.338 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.05 -44.34 74.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.31 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.86 -32.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.51 68.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -96.32 -29.28 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.9 -63.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.877 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.89 -44.14 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.74 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.13 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.85 64.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.439 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -89.08 -34.92 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.87 -52.09 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.867 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.755 0.312 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -64.71 -45.87 84.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.25 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.28 -33.63 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.25 -22.32 65.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.45 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -96.58 -34.47 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.96 -31.3 58.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m170 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -72.94 -40.99 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.31 -26.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -21.98 59.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -88.3 -40.36 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.38 -53.06 62.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -57.6 -35.92 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.85 60.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -76.82 -25.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.52 -30.39 74.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.441 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.26 -26.26 17.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.63 -27.76 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.926 179.826 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.716 0.293 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.46 -42.42 67.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.18 90.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.49 -31.54 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.23 55.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.429 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -108.39 -30.53 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.71 -61.91 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.941 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -54.99 -48.64 73.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.79 -43.76 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.55 -25.62 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.95 -53.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -85.74 -32.44 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.83 -55.06 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.743 -1.122 . . . . 0.0 110.847 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -60.85 -51.01 71.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.3 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.34 -27.15 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.11 -28.64 73.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -79.5 -38.69 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.57 -57.11 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -62.62 -45.32 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.9 68.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.64 -36.32 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.45 94.45 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -81.67 -60.71 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.45 -66.9 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.849 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -78.05 -41.86 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.53 69.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 -25.69 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.25 -26.11 35.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -90.48 -27.0 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -78.44 -37.99 42.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ppp? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.878 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -56.02 -43.82 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.9 -25.48 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.83 64.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -82.29 -26.43 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.7 mt -77.77 -50.57 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.825 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -76.26 87.85 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -114.99 -31.69 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -61.58 -44.37 97.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.22 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.65 -31.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -34.38 89.71 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -80.06 -27.46 39.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt -78.23 -58.02 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.907 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -125.72 26.7 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -68.08 -29.74 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.42 -38.1 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.21 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.6 -25.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.82 -28.23 57.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -88.38 -49.03 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -55.22 -40.72 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.869 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -120.2 28.84 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -57.08 -26.38 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -67.61 -42.87 81.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.4 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.24 -28.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.56 -24.23 76.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -89.13 -43.54 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.31 -44.89 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.428 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 7.1 m120 -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -118.15 -33.14 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -60.83 -47.28 87.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.66 73.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.04 -25.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.52 -36.71 54.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.33 -29.76 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.4 mt -67.05 -31.6 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.6 tmm? . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.87 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -93.43 93.4 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -71.11 -42.27 69.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.19 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -54.23 -27.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.7 -28.35 51.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.479 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -90.12 -33.63 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.03 -35.02 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -82.47 95.47 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -123.57 -41.27 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.0 -51.43 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.56 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.51 -27.78 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.36 76.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -96.63 -41.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.22 -34.9 79.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.798 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.9 29.77 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.78 -26.93 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.33 -45.95 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.37 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.81 -25.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.14 -24.8 45.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.96 -34.88 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 mt -71.37 -57.07 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.5 mmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.907 179.767 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -129.93 26.57 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -55.13 -31.34 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -52.41 -41.49 63.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.95 -25.59 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -20.82 58.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.56 -28.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.78 -28.59 65.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -117.66 43.22 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -54.16 -28.75 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.7 -45.68 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.01 -26.06 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.16 -31.79 41.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -84.26 -33.57 24.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.18 -51.14 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -97.59 103.03 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -125.54 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.05 -44.34 74.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.31 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.86 -32.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.51 68.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -96.32 -29.28 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.9 -63.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.877 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -87.05 83.77 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -115.7 -31.6 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.89 -44.14 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.74 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.13 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.85 64.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.439 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -89.08 -34.92 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.87 -52.09 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.867 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -111.56 101.75 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -129.94 -40.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -64.71 -45.87 84.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.25 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.28 -33.63 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.25 -22.32 65.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.45 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -96.58 -34.47 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.96 -31.3 58.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -133.67 126.97 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.922 0.392 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -56.62 -32.23 65.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -72.94 -40.99 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.31 -26.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -21.98 59.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -88.3 -40.36 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.9 mt -57.38 -53.06 62.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -142.64 160.97 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -52.15 -48.24 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -57.6 -35.92 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.85 60.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -76.82 -25.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.52 -30.39 74.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.441 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.26 -26.26 17.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.63 -27.76 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.926 179.826 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -58.51 108.68 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -132.15 -43.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.46 -42.42 67.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.18 90.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.49 -31.54 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.23 55.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.429 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -108.39 -30.53 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.71 -61.91 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.941 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -121.17 54.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -88.82 -31.21 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -54.99 -48.64 73.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.79 -43.76 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.55 -25.62 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.95 -53.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -85.74 -32.44 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.83 -55.06 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.743 -1.122 . . . . 0.0 110.847 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -121.59 119.75 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -131.15 -44.7 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -60.85 -51.01 71.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.3 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.34 -27.15 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.11 -28.64 73.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -79.5 -38.69 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.57 -57.11 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.21 92.42 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -118.49 -32.62 4.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -62.62 -45.32 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.9 68.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.64 -36.32 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.45 94.45 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -81.67 -60.71 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.45 -66.9 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.849 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -55.5 137.71 47.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -54.72 -33.66 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -78.05 -41.86 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.53 69.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 -25.69 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.25 -26.11 35.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -90.48 -27.0 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -78.44 -37.99 42.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ppp? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.878 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.42 87.91 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.355 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -79.7 -39.79 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -56.02 -43.82 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.9 -25.48 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.83 64.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -82.29 -26.43 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.7 mt -77.77 -50.57 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.825 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -61.58 -44.37 97.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.22 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.486 ' HA ' HD12 ' A' ' 9' ' ' LEU . 61.9 t -56.65 -31.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -34.38 89.71 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -80.06 -27.46 39.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 6' ' ' VAL . 11.9 mt -78.23 -58.02 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.907 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.42 -38.1 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.21 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.6 -25.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.82 -28.23 57.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -88.38 -49.03 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -55.22 -40.72 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.869 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -67.61 -42.87 81.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.4 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.24 -28.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.56 -24.23 76.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -89.13 -43.54 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.31 -44.89 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -60.83 -47.28 87.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.66 73.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 9' ' ' LEU . 57.6 t -56.04 -25.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.52 -36.71 54.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.33 -29.76 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 6' ' ' VAL . 33.4 mt -67.05 -31.6 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.6 tmm? . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.87 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.322 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -71.11 -42.27 69.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.19 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -54.23 -27.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.7 -28.35 51.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.479 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -90.12 -33.63 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.03 -35.02 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.0 -51.43 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.56 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.51 -27.78 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.36 76.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -96.63 -41.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.22 -34.9 79.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.798 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.333 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.33 -45.95 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.37 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.81 -25.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.14 -24.8 45.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.96 -34.88 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 mt -71.37 -57.07 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.5 mmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.907 179.767 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -52.41 -41.49 63.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.95 -25.59 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -20.82 58.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.56 -28.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.78 -28.59 65.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.7 -45.68 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 9' ' ' LEU . 88.6 t -59.01 -26.06 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.16 -31.79 41.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -84.26 -33.57 24.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 6' ' ' VAL . 58.1 mt -64.18 -51.14 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.338 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.05 -44.34 74.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.31 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.86 -32.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.51 68.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -96.32 -29.28 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.9 -63.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.877 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.89 -44.14 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.74 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.13 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.85 64.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.439 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -89.08 -34.92 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.87 -52.09 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.867 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.755 0.312 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -64.71 -45.87 84.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.25 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.28 -33.63 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.25 -22.32 65.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.45 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -96.58 -34.47 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.96 -31.3 58.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m170 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -72.94 -40.99 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' HA ' HD12 ' A' ' 9' ' ' LEU . 53.3 t -55.31 -26.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -21.98 59.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -88.3 -40.36 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 6' ' ' VAL . 39.9 mt -57.38 -53.06 62.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -57.6 -35.92 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.85 60.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -76.82 -25.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.52 -30.39 74.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.441 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.26 -26.26 17.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.63 -27.76 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.926 179.826 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.716 0.293 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.46 -42.42 67.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.18 90.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.49 -31.54 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.23 55.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.429 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -108.39 -30.53 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.71 -61.91 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.941 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -54.99 -48.64 73.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -56.79 -43.76 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.55 -25.62 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.95 -53.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -85.74 -32.44 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.449 HD11 ' HB1' ' A' ' 5' ' ' ALA . 47.1 mt -63.83 -55.06 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.743 -1.122 . . . . 0.0 110.847 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -60.85 -51.01 71.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.3 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.34 -27.15 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.11 -28.64 73.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -79.5 -38.69 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.57 -57.11 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -62.62 -45.32 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.9 68.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.64 -36.32 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.45 94.45 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -81.67 -60.71 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.45 -66.9 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.849 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -78.05 -41.86 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.53 69.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 -25.69 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.25 -26.11 35.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -90.48 -27.0 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -78.44 -37.99 42.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ppp? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.878 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -56.02 -43.82 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.9 -25.48 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.83 64.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -82.29 -26.43 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.7 mt -77.77 -50.57 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.825 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -76.26 87.85 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -114.99 -31.69 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -61.58 -44.37 97.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.22 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.486 ' HA ' HD12 ' A' ' 9' ' ' LEU . 61.9 t -56.65 -31.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -34.38 89.71 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -80.06 -27.46 39.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 6' ' ' VAL . 11.9 mt -78.23 -58.02 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.907 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -125.72 26.7 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -68.08 -29.74 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.42 -38.1 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.21 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.6 -25.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.82 -28.23 57.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -88.38 -49.03 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -55.22 -40.72 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.869 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -120.2 28.84 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -57.08 -26.38 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -67.61 -42.87 81.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.4 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.24 -28.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.56 -24.23 76.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -89.13 -43.54 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.31 -44.89 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -118.15 -33.14 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -60.83 -47.28 87.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.66 73.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 9' ' ' LEU . 57.6 t -56.04 -25.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.52 -36.71 54.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.33 -29.76 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 6' ' ' VAL . 33.4 mt -67.05 -31.6 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.6 tmm? . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.87 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.682 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 m-20 -93.43 93.4 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -71.11 -42.27 69.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.652 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . . . -69.06 -44.19 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 2' ' ' ASN . 67.1 t -54.23 -27.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.7 -28.35 51.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.479 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -90.12 -33.63 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.03 -35.02 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -82.47 95.47 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -123.57 -41.27 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.0 -51.43 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.56 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.51 -27.78 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.36 76.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -96.63 -41.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.22 -34.9 79.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.798 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.9 29.77 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.78 -26.93 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.33 -45.95 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.37 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.81 -25.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.14 -24.8 45.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.96 -34.88 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 mt -71.37 -57.07 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.5 mmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.907 179.767 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -129.93 26.57 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -55.13 -31.34 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -52.41 -41.49 63.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.95 -25.59 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -20.82 58.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.56 -28.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.78 -28.59 65.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -117.66 43.22 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -54.16 -28.75 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.7 -45.68 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 9' ' ' LEU . 88.6 t -59.01 -26.06 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.16 -31.79 41.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -84.26 -33.57 24.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 6' ' ' VAL . 58.1 mt -64.18 -51.14 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -97.59 103.03 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -125.54 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.05 -44.34 74.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.31 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.86 -32.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.51 68.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -96.32 -29.28 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.9 -63.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.877 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -87.05 83.77 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -115.7 -31.6 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.89 -44.14 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.74 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.13 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.85 64.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.439 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -89.08 -34.92 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.87 -52.09 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.867 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -111.56 101.75 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -129.94 -40.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -64.71 -45.87 84.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.25 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.28 -33.63 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.25 -22.32 65.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.45 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -96.58 -34.47 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.96 -31.3 58.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -133.67 126.97 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.922 0.392 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -56.62 -32.23 65.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -72.94 -40.99 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' HA ' HD12 ' A' ' 9' ' ' LEU . 53.3 t -55.31 -26.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -21.98 59.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -88.3 -40.36 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 6' ' ' VAL . 39.9 mt -57.38 -53.06 62.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.552 ' O ' HG23 ' A' ' 6' ' ' VAL . 17.3 t-20 -142.64 160.97 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -52.15 -48.24 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -57.6 -35.92 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.85 60.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 2' ' ' ASN . 60.4 t -76.82 -25.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.52 -30.39 74.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.441 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.26 -26.26 17.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.63 -27.76 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.926 179.826 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -58.51 108.68 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -132.15 -43.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.46 -42.42 67.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.18 90.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.49 -31.54 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.23 55.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.429 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -108.39 -30.53 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.71 -61.91 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.941 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -121.17 54.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -88.82 -31.21 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -54.99 -48.64 73.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -56.79 -43.76 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.55 -25.62 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.95 -53.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -85.74 -32.44 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD11 ' HB1' ' A' ' 5' ' ' ALA . 47.1 mt -63.83 -55.06 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.743 -1.122 . . . . 0.0 110.847 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -121.59 119.75 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -131.15 -44.7 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -60.85 -51.01 71.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.3 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.34 -27.15 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.11 -28.64 73.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -79.5 -38.69 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.57 -57.11 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.21 92.42 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -118.49 -32.62 4.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -62.62 -45.32 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.9 68.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.64 -36.32 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.45 94.45 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -81.67 -60.71 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.45 -66.9 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.849 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.706 ' O ' HG23 ' A' ' 6' ' ' VAL . 7.2 t-20 -55.5 137.71 47.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -54.72 -33.66 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -78.05 -41.86 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.53 69.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 2' ' ' ASN . 61.9 t -64.88 -25.69 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.25 -26.11 35.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -90.48 -27.0 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -78.44 -37.99 42.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ppp? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.878 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.42 87.91 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.355 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -79.7 -39.79 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -56.02 -43.82 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.9 -25.48 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.83 64.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -82.29 -26.43 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.7 mt -77.77 -50.57 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.825 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -61.58 -44.37 97.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.22 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.486 ' HA ' HD12 ' A' ' 9' ' ' LEU . 61.9 t -56.65 -31.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -34.38 89.71 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -80.06 -27.46 39.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 6' ' ' VAL . 11.9 mt -78.23 -58.02 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.907 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.42 -38.1 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.21 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.6 -25.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.82 -28.23 57.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -88.38 -49.03 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -55.22 -40.72 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.869 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -67.61 -42.87 81.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.4 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.24 -28.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.56 -24.23 76.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -89.13 -43.54 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.31 -44.89 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -60.83 -47.28 87.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.66 73.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 9' ' ' LEU . 57.6 t -56.04 -25.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.52 -36.71 54.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.33 -29.76 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 6' ' ' VAL . 33.4 mt -67.05 -31.6 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.6 tmm? . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.87 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.322 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -71.11 -42.27 69.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.19 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -54.23 -27.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.7 -28.35 51.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.479 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -90.12 -33.63 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.03 -35.02 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.0 -51.43 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.56 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.51 -27.78 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.36 76.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -96.63 -41.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.22 -34.9 79.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.798 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.333 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.33 -45.95 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.37 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.81 -25.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.14 -24.8 45.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.96 -34.88 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 mt -71.37 -57.07 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.5 mmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.907 179.767 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -52.41 -41.49 63.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.95 -25.59 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -20.82 58.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.56 -28.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.78 -28.59 65.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.7 -45.68 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 9' ' ' LEU . 88.6 t -59.01 -26.06 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.16 -31.79 41.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -84.26 -33.57 24.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 6' ' ' VAL . 58.1 mt -64.18 -51.14 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.338 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.05 -44.34 74.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.31 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.86 -32.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.51 68.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -96.32 -29.28 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.9 -63.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.877 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.89 -44.14 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.74 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.13 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.85 64.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.439 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -89.08 -34.92 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.87 -52.09 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.867 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.755 0.312 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -64.71 -45.87 84.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.25 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.28 -33.63 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.25 -22.32 65.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.45 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -96.58 -34.47 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.96 -31.3 58.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m170 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -72.94 -40.99 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' HA ' HD12 ' A' ' 9' ' ' LEU . 53.3 t -55.31 -26.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -21.98 59.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -88.3 -40.36 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 6' ' ' VAL . 39.9 mt -57.38 -53.06 62.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -57.6 -35.92 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.85 60.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -76.82 -25.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.52 -30.39 74.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.441 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.26 -26.26 17.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.63 -27.76 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.926 179.826 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.716 0.293 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.46 -42.42 67.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.18 90.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.49 -31.54 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.23 55.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.429 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -108.39 -30.53 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.71 -61.91 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.941 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -54.99 -48.64 73.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -56.79 -43.76 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.55 -25.62 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.95 -53.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -85.74 -32.44 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.449 HD11 ' HB1' ' A' ' 5' ' ' ALA . 47.1 mt -63.83 -55.06 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.743 -1.122 . . . . 0.0 110.847 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -60.85 -51.01 71.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.3 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.34 -27.15 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.11 -28.64 73.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -79.5 -38.69 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.57 -57.11 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -62.62 -45.32 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.9 68.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.64 -36.32 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.45 94.45 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -81.67 -60.71 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.45 -66.9 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.849 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -78.05 -41.86 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.53 69.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.88 -25.69 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.25 -26.11 35.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -90.48 -27.0 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -78.44 -37.99 42.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ppp? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.878 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -56.02 -43.82 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.9 -25.48 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.83 64.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -82.29 -26.43 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.7 mt -77.77 -50.57 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.825 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -76.26 87.85 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -114.99 -31.69 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -61.58 -44.37 97.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.22 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.486 ' HA ' HD12 ' A' ' 9' ' ' LEU . 61.9 t -56.65 -31.93 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -34.38 89.71 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -80.06 -27.46 39.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 6' ' ' VAL . 11.9 mt -78.23 -58.02 3.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.907 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -125.72 26.7 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -68.08 -29.74 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.42 -38.1 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.21 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.6 -25.96 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.82 -28.23 57.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.461 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -88.38 -49.03 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -55.22 -40.72 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.869 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -120.2 28.84 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -57.08 -26.38 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -67.61 -42.87 81.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.4 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.24 -28.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.56 -24.23 76.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -89.13 -43.54 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.31 -44.89 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.588 -1.196 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -118.15 -33.14 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -60.83 -47.28 87.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.66 73.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.701 ' HA ' HD12 ' A' ' 9' ' ' LEU . 57.6 t -56.04 -25.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.52 -36.71 54.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -86.33 -29.76 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 6' ' ' VAL . 33.4 mt -67.05 -31.6 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.6 tmm? . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.87 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.682 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 m-20 -93.43 93.4 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -71.11 -42.27 69.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.652 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . . . -69.06 -44.19 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 2' ' ' ASN . 67.1 t -54.23 -27.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.7 -28.35 51.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.479 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -90.12 -33.63 16.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.03 -35.02 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -82.47 95.47 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -123.57 -41.27 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.0 -51.43 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.56 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.51 -27.78 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 -24.36 76.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -96.63 -41.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.22 -34.9 79.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.798 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.9 29.77 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.78 -26.93 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.33 -45.95 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.37 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.81 -25.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.14 -24.8 45.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.96 -34.88 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 mt -71.37 -57.07 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.5 mmm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.907 179.767 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -129.93 26.57 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -55.13 -31.34 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -52.41 -41.49 63.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.37 -35.18 31.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.95 -25.59 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.96 -20.82 58.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.56 -28.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.78 -28.59 65.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -117.66 43.22 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -54.16 -28.75 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.7 -45.68 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 9' ' ' LEU . 88.6 t -59.01 -26.06 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.16 -31.79 41.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -84.26 -33.57 24.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 6' ' ' VAL . 58.1 mt -64.18 -51.14 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -97.59 103.03 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -125.54 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.05 -44.34 74.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.31 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.86 -32.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.83 -28.51 68.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -96.32 -29.28 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.9 -63.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.877 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -87.05 83.77 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -115.7 -31.6 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.89 -44.14 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.74 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.13 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.85 64.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.439 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -89.08 -34.92 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.87 -52.09 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mtt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.867 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -111.56 101.75 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -129.94 -40.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -64.71 -45.87 84.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.25 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.28 -33.63 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.25 -22.32 65.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.45 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -96.58 -34.47 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.96 -31.3 58.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -133.67 126.97 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.922 0.392 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -56.62 -32.23 65.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -72.94 -40.99 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' HA ' HD12 ' A' ' 9' ' ' LEU . 53.3 t -55.31 -26.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -21.98 59.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -88.3 -40.36 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 6' ' ' VAL . 39.9 mt -57.38 -53.06 62.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.552 ' O ' HG23 ' A' ' 6' ' ' VAL . 39.4 t30 -142.64 160.97 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -52.15 -48.24 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -57.6 -35.92 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.85 60.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 2' ' ' ASN . 60.4 t -76.82 -25.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.52 -30.39 74.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.441 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.26 -26.26 17.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.63 -27.76 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.926 179.826 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -58.51 108.68 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -132.15 -43.39 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.46 -42.42 67.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.18 90.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.49 -31.54 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.23 55.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.429 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -108.39 -30.53 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.71 -61.91 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.941 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -121.17 54.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -88.82 -31.21 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -54.99 -48.64 73.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -56.79 -43.76 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.55 -25.62 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.95 -53.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -85.74 -32.44 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD11 ' HB1' ' A' ' 5' ' ' ALA . 47.1 mt -63.83 -55.06 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.743 -1.122 . . . . 0.0 110.847 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -121.59 119.75 32.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -131.15 -44.7 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -60.85 -51.01 71.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.3 61.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.34 -27.15 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.11 -28.64 73.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -79.5 -38.69 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.57 -57.11 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -85.21 92.42 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -118.49 -32.62 4.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -62.62 -45.32 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.9 68.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.64 -36.32 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.45 94.45 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.499 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -81.67 -60.71 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.45 -66.9 0.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.783 -1.103 . . . . 0.0 110.849 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.706 ' O ' HG23 ' A' ' 6' ' ' VAL . 26.2 t30 -55.5 137.71 47.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -54.72 -33.66 61.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -78.05 -41.86 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.53 69.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 2' ' ' ASN . 61.9 t -64.88 -25.69 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.25 -26.11 35.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -90.48 -27.0 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -78.44 -37.99 42.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ppp? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.878 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.42 87.91 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.355 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -79.7 -39.79 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -56.02 -43.82 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -25.49 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.9 -25.48 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.83 64.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -82.29 -26.43 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.7 mt -77.77 -50.57 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.825 179.828 . . . . . . . . 0 0 . 1 stop_ save_