data_6twg_residue ############################ # Computer software used # ############################ 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 6twg _Structure_validation_residue.Date_analyzed 2020-07-17 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.861 0.363 . . . . 75.23 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.48 158.35 37.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.746 . . . . 72.11 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -38.52 7.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 74.51 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -64.14 -49.22 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.78 -33.91 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 63.22 111.085 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -69.71 -52.92 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.925 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.52 -46.78 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 65.15 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -50.97 -43.21 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.2 mt -63.74 -41.9 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.51 -51.51 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.47 -53.18 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.53 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 55.54 111.079 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.928 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 65.33 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.14 157.54 41.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 73.13 110.912 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -34.47 14.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 64.4 112.316 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -60.3 -47.4 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.45 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.0 pt -79.95 -29.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 73.32 111.108 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.63 -48.57 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.874 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -50.63 -37.47 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -49.68 -46.48 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.58 -38.72 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 75.1 111.146 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -51.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 65.31 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -53.43 -53.28 53.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.863 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.111 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 63.11 110.934 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.861 0.362 . . . . 72.51 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.68 156.73 39.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 73.5 110.963 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.0 11.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 74.24 112.311 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -58.67 -47.55 84.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 74.33 110.882 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.2 pt -79.38 -30.08 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 72.21 111.125 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.27 -51.24 55.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 63.43 110.906 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -51.17 -45.84 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -50.59 -43.5 56.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.1 mm -63.24 -42.01 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.4 111.179 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.89 -51.54 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 75.52 111.17 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -53.42 -53.16 55.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.59 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.098 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 74.51 110.864 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.59 158.45 53.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 62.3 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.37 16.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 65.04 112.351 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.48 -47.65 83.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.914 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt -77.05 -30.09 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 71.5 111.131 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.65 -52.37 21.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.923 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -51.12 -44.74 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.878 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -50.42 -43.86 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.98 -42.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 72.41 111.174 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.87 -51.59 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 75.12 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -53.41 -53.17 55.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.69 84.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 75.44 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.918 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.893 0.378 . . . . 74.25 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.62 158.41 51.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 74.43 110.9 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -34.79 13.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 71.31 112.367 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -60.78 -47.71 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.04 110.879 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt -79.2 -30.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.42 111.118 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 tp -68.59 -52.13 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -50.68 -45.58 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.854 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -50.43 -43.54 54.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.6 mm -63.28 -42.05 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 75.02 111.139 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.35 -51.55 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.53 111.135 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.5 -53.16 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.887 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.24 111.084 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.915 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.908 0.385 . . . . 74.31 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.13 158.43 52.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 74.34 110.895 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 73.22 112.362 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -60.7 -47.69 85.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.885 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.3 pt -79.44 -30.44 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.13 111.072 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.48 -52.04 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.92 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -50.67 -45.58 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.25 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -50.51 -43.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.87 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.21 -42.04 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.13 111.164 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.89 -51.53 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 73.31 111.147 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 tpt85 -53.43 -53.14 55.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.73 84.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.15 111.076 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.924 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.367 . . . . 73.11 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -118.8 158.76 46.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 73.34 110.9 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.32 7.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 73.04 112.354 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.02 -49.22 73.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.53 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -71.01 -34.79 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.122 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.95 -52.29 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.42 110.923 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -50.68 -35.28 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.889 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -49.36 -47.55 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 75.54 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mp -72.48 -35.82 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.31 111.093 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.84 -51.55 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.129 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -53.21 -53.01 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.918 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.54 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 53.15 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.91 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 73.44 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.58 158.6 44.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.629 0.728 . . . . 74.02 110.908 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 73.15 112.309 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.26 -49.41 74.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.866 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.41 -33.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 73.54 111.157 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.1 -53.74 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.896 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -51.9 -43.27 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -50.53 -44.47 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.4 -42.21 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.32 111.086 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.86 -51.54 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 74.31 111.163 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -53.44 -53.13 55.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.45 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.63 84.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.14 111.136 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.936 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.85 0.357 . . . . 73.2 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.59 158.62 44.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 74.22 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.63 6.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.667 2.245 . . . . 75.01 112.324 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -63.23 -49.43 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.3 110.909 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.46 -33.84 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 72.2 111.14 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.19 -53.71 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.944 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -51.91 -43.31 63.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.46 -44.61 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.899 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.8 mm -62.19 -42.25 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 74.23 111.134 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.9 -51.59 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.35 111.069 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.47 -53.18 55.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.854 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.61 84.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 61.23 111.078 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 73.45 110.933 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 72.44 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.24 158.19 37.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 62.53 110.937 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.42 7.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 74.41 112.326 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -63.96 -49.23 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -71.19 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.129 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.38 -52.26 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.908 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -51.45 -44.42 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -50.76 -44.3 58.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.54 -42.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.116 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.96 -51.48 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.45 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -53.41 -53.17 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.52 85.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 55.44 111.083 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.916 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.861 0.363 . . . . 75.23 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.48 158.35 37.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.746 . . . . 72.11 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -38.52 7.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 74.51 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -64.14 -49.22 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.78 -33.91 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 63.22 111.085 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -69.71 -52.92 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.925 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.52 -46.78 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 65.15 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -50.97 -43.21 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.2 mt -63.74 -41.9 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.51 -51.51 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.47 -53.18 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.53 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 55.54 111.079 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.928 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 65.33 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.14 157.54 41.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 73.13 110.912 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -34.47 14.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 64.4 112.316 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -60.3 -47.4 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.45 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.0 pt -79.95 -29.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 73.32 111.108 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.63 -48.57 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.874 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -50.63 -37.47 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -49.68 -46.48 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.58 -38.72 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 75.1 111.146 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -51.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 65.31 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -53.43 -53.28 53.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.863 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.111 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 63.11 110.934 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.861 0.362 . . . . 72.51 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.68 156.73 39.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 73.5 110.963 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.0 11.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 74.24 112.311 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -58.67 -47.55 84.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 74.33 110.882 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.2 pt -79.38 -30.08 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 72.21 111.125 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.27 -51.24 55.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 63.43 110.906 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -51.17 -45.84 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -50.59 -43.5 56.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.1 mm -63.24 -42.01 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.4 111.179 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.89 -51.54 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 75.52 111.17 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -53.42 -53.16 55.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.59 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.098 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 74.51 110.864 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.59 158.45 53.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 62.3 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.37 16.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 65.04 112.351 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.48 -47.65 83.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.914 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt -77.05 -30.09 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 71.5 111.131 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.65 -52.37 21.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.923 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -51.12 -44.74 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.878 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -50.42 -43.86 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.98 -42.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 72.41 111.174 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.87 -51.59 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 75.12 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -53.41 -53.17 55.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.69 84.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 75.44 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.918 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.893 0.378 . . . . 74.25 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.62 158.41 51.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 74.43 110.9 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -34.79 13.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 71.31 112.367 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -60.78 -47.71 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.04 110.879 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt -79.2 -30.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.42 111.118 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 tp -68.59 -52.13 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -50.68 -45.58 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.854 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -50.43 -43.54 54.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.6 mm -63.28 -42.05 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 75.02 111.139 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.35 -51.55 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.53 111.135 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.5 -53.16 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.887 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.24 111.084 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.915 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.908 0.385 . . . . 74.31 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.13 158.43 52.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 74.34 110.895 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 73.22 112.362 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -60.7 -47.69 85.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.885 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.3 pt -79.44 -30.44 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.13 111.072 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.48 -52.04 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.92 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -50.67 -45.58 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.25 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -50.51 -43.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.87 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.21 -42.04 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.13 111.164 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.89 -51.53 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 73.31 111.147 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 tpt85 -53.43 -53.14 55.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.73 84.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.15 111.076 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.924 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.367 . . . . 73.11 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -118.8 158.76 46.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 73.34 110.9 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.32 7.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 73.04 112.354 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.02 -49.22 73.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.53 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -71.01 -34.79 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.122 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.95 -52.29 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.42 110.923 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -50.68 -35.28 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.889 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -49.36 -47.55 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 75.54 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mp -72.48 -35.82 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.31 111.093 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.84 -51.55 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.129 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -53.21 -53.01 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.918 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.54 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 53.15 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.91 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 73.44 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.58 158.6 44.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.629 0.728 . . . . 74.02 110.908 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 73.15 112.309 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.26 -49.41 74.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.866 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.41 -33.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 73.54 111.157 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.1 -53.74 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.896 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -51.9 -43.27 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -50.53 -44.47 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.4 -42.21 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.32 111.086 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.86 -51.54 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 74.31 111.163 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -53.44 -53.13 55.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.45 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.63 84.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.14 111.136 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.936 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.85 0.357 . . . . 73.2 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.59 158.62 44.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 74.22 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.63 6.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.667 2.245 . . . . 75.01 112.324 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -63.23 -49.43 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.3 110.909 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.46 -33.84 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 72.2 111.14 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.19 -53.71 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.944 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -51.91 -43.31 63.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.46 -44.61 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.899 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.8 mm -62.19 -42.25 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 74.23 111.134 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.9 -51.59 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.35 111.069 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.47 -53.18 55.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.854 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.61 84.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 61.23 111.078 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 73.45 110.933 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 72.44 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.24 158.19 37.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 62.53 110.937 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.42 7.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 74.41 112.326 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -63.96 -49.23 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -71.19 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.129 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.38 -52.26 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.908 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -51.45 -44.42 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -50.76 -44.3 58.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.54 -42.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.116 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.96 -51.48 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.45 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -53.41 -53.17 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.52 85.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 55.44 111.083 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.916 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.561 ' HB2' HD11 ' A' ' 5' ' ' ILE . 36.9 p90 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.861 0.363 . . . . 72.040000000000006 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -112.48 158.35 37.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.746 . . . . 71.209999999999994 110.904 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -38.52 7.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 74.340000000000003 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -64.14 -49.22 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 53.130000000000003 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 1' ' ' PHE . 2.7 pp -70.78 -33.91 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 63.219999999999999 111.085 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.5 tm? -69.71 -52.92 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 65.319999999999993 110.925 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.52 -46.78 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 44.450000000000003 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -50.97 -43.21 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 72.409999999999997 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.523 HG22 HD12 ' A' ' 13' ' ' LEU . 54.2 mt -63.74 -41.9 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.439999999999998 111.124 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.51 -51.51 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.340000000000003 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.47 -53.18 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.53 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 43.420000000000002 111.079 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 9' ' ' ILE . 11.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.219999999999999 110.928 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 65.329999999999998 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -114.14 157.54 41.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 73.129999999999995 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -34.47 14.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 64.400000000000006 112.316 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -60.3 -47.4 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.433 HD11 ' H ' ' A' ' 2' ' ' LEU . 24.0 pt -79.95 -29.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 63.219999999999999 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -68.63 -48.57 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 70.319999999999993 110.874 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -50.63 -37.47 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -49.68 -46.48 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 71.310000000000002 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 13' ' ' LEU . 5.3 mp -67.58 -38.72 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 111.146 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -51.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 62.509999999999998 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -53.43 -53.28 53.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.863 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.230000000000004 111.111 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 61.520000000000003 110.934 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.861 0.362 . . . . 71.420000000000002 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.451 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -109.68 156.73 39.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 73.219999999999999 110.963 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.0 11.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 74.239999999999995 112.311 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -58.67 -47.55 84.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 50.509999999999998 110.882 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.451 HD11 ' H ' ' A' ' 2' ' ' LEU . 25.2 pt -79.38 -30.08 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 55.009999999999998 111.125 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.537 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -67.27 -51.24 55.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 63.43 110.906 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -51.17 -45.84 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -50.59 -43.5 56.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 61.439999999999998 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.437 HG22 HD12 ' A' ' 13' ' ' LEU . 42.1 mm -63.24 -42.01 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.140000000000001 111.179 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.89 -51.54 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.17 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -53.42 -53.16 55.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.59 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 73.030000000000001 111.098 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 64.219999999999999 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.517 ' C ' HD22 ' A' ' 2' ' ' LEU . 38.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 74.299999999999997 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -121.59 158.45 53.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 61.32 110.896 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.37 16.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 62.5 112.351 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.48 -47.65 83.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.019999999999996 110.914 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.505 HD11 ' H ' ' A' ' 2' ' ' LEU . 26.6 pt -77.05 -30.09 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 71.5 111.131 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.65 -52.37 21.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 63.039999999999999 110.923 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -51.12 -44.74 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.878 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -50.42 -43.86 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.43 HG22 HD12 ' A' ' 13' ' ' LEU . 41.9 mm -62.98 -42.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 63.130000000000003 111.174 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.87 -51.59 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 71.150000000000006 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -53.41 -53.17 55.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 71.340000000000003 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.69 84.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD12 HG22 ' A' ' 9' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 62.119999999999997 110.918 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.893 0.378 . . . . 74.25 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -120.62 158.41 51.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 72.219999999999999 110.9 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -34.79 13.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 71.310000000000002 112.367 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -60.78 -47.71 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 110.879 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.432 HD11 ' H ' ' A' ' 2' ' ' LEU . 26.6 pt -79.2 -30.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 111.118 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.7 tp -68.59 -52.13 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.89 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -50.68 -45.58 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 110.854 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -50.43 -43.54 54.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 13' ' ' LEU . 42.6 mm -63.28 -42.05 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 63.520000000000003 111.139 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.35 -51.55 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.209999999999994 111.135 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.5 -53.16 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.887 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.239999999999995 111.084 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 71.219999999999999 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.7 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.908 0.385 . . . . 73.400000000000006 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -121.13 158.43 52.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 64.219999999999999 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 73.219999999999999 112.362 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -60.7 -47.69 85.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.150000000000006 110.885 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.427 HD11 ' H ' ' A' ' 2' ' ' LEU . 25.3 pt -79.44 -30.44 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 111.072 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.6 tp -68.48 -52.04 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 61.340000000000003 110.92 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -50.67 -45.58 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -50.51 -43.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.87 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.431 HG22 HD12 ' A' ' 13' ' ' LEU . 42.0 mm -63.21 -42.04 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.129999999999995 111.164 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.89 -51.53 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 63.240000000000002 111.147 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 tpt85 -53.43 -53.14 55.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.120000000000005 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.73 84.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 51.520000000000003 111.076 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD12 HG22 ' A' ' 9' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 64.010000000000005 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.583 ' CE1' HD22 ' A' ' 6' ' ' LEU . 38.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.367 . . . . 71.510000000000005 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.478 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -118.8 158.76 46.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 71.340000000000003 110.9 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.32 7.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 63.149999999999999 112.354 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.02 -49.22 73.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.530000000000001 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -71.01 -34.79 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.583 HD22 ' CE1' ' A' ' 1' ' ' PHE . 12.2 tp -68.95 -52.29 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 60.329999999999998 110.923 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -50.68 -35.28 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 71.420000000000002 110.889 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -49.36 -47.55 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 71.340000000000003 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -72.48 -35.82 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.310000000000002 111.093 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.84 -51.55 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 111.129 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -53.21 -53.01 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 71.129999999999995 110.918 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.54 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 51.240000000000002 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD12 HG22 ' A' ' 9' ' ' ILE . 11.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 70.010000000000005 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.5 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 52.100000000000001 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.461 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -117.58 158.6 44.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.629 0.728 . . . . 74.019999999999996 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 61.210000000000001 112.309 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.26 -49.41 74.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.866 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -70.41 -33.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 63.219999999999999 111.157 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.9 tp -69.1 -53.74 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.230000000000004 110.896 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -51.9 -43.27 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -50.53 -44.47 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.209999999999994 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 13' ' ' LEU . 42.2 mm -62.4 -42.21 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 63.399999999999999 111.086 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.86 -51.54 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 111.163 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -53.44 -53.13 55.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.63 84.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.140000000000001 111.136 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 60.109999999999999 110.936 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.586 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.6 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.85 0.357 . . . . 54.049999999999997 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.464 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -117.59 158.62 44.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 74.109999999999999 110.942 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.63 6.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.667 2.245 . . . . 75.010000000000005 112.324 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -63.23 -49.43 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.909 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -70.46 -33.84 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 50.009999999999998 111.14 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 ' CE2' ' A' ' 1' ' ' PHE . 13.0 tp -69.19 -53.71 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.944 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -51.91 -43.31 63.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.46 -44.61 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 65.420000000000002 110.899 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 13' ' ' LEU . 41.8 mm -62.19 -42.25 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 111.134 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.9 -51.59 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.349999999999994 111.069 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.47 -53.18 55.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 65.230000000000004 110.854 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.61 84.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 51.420000000000002 111.078 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 71.040000000000006 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.561 ' HB2' HD11 ' A' ' 5' ' ' ILE . 37.0 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 64.030000000000001 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -112.24 158.19 37.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 44.43 110.937 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.42 7.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 74.409999999999997 112.326 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -63.96 -49.23 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.883 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 1' ' ' PHE . 2.7 pp -71.19 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 111.129 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -69.38 -52.26 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.239999999999995 110.908 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -51.45 -44.42 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -50.76 -44.3 58.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.549999999999997 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 13' ' ' LEU . 42.1 mm -62.54 -42.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 63.32 111.116 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.96 -51.48 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.310000000000002 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -53.41 -53.17 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 71.439999999999998 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.52 85.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 42.32 111.083 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.239999999999995 110.916 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.561 ' HB2' HD11 ' A' ' 5' ' ' ILE . 36.9 p90 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.861 0.363 . . . . 72.040000000000006 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -112.48 158.35 37.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.746 . . . . 71.209999999999994 110.904 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -38.52 7.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 74.340000000000003 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -64.14 -49.22 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 53.130000000000003 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 1' ' ' PHE . 2.7 pp -70.78 -33.91 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 63.219999999999999 111.085 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.5 tm? -69.71 -52.92 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 65.319999999999993 110.925 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.52 -46.78 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 44.450000000000003 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -50.97 -43.21 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 72.409999999999997 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 HG22 HD12 ' A' ' 13' ' ' LEU . 54.2 mt -63.74 -41.9 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.439999999999998 111.124 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.51 -51.51 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.340000000000003 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.47 -53.18 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.53 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 43.420000000000002 111.079 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 9' ' ' ILE . 11.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.219999999999999 110.928 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 65.329999999999998 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -114.14 157.54 41.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 73.129999999999995 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -34.47 14.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 64.400000000000006 112.316 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -60.3 -47.4 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.433 HD11 ' H ' ' A' ' 2' ' ' LEU . 24.0 pt -79.95 -29.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 63.219999999999999 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -68.63 -48.57 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 70.319999999999993 110.874 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -50.63 -37.47 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -49.68 -46.48 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 71.310000000000002 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 13' ' ' LEU . 5.3 mp -67.58 -38.72 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 111.146 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -51.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 62.509999999999998 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -53.43 -53.28 53.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.863 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.230000000000004 111.111 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 61.520000000000003 110.934 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.861 0.362 . . . . 71.420000000000002 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -109.68 156.73 39.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 73.219999999999999 110.963 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.0 11.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 74.239999999999995 112.311 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -58.67 -47.55 84.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 50.509999999999998 110.882 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.451 HD11 ' H ' ' A' ' 2' ' ' LEU . 25.2 pt -79.38 -30.08 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 55.009999999999998 111.125 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.537 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -67.27 -51.24 55.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 63.43 110.906 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -51.17 -45.84 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -50.59 -43.5 56.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 61.439999999999998 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 HG22 HD12 ' A' ' 13' ' ' LEU . 42.1 mm -63.24 -42.01 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.140000000000001 111.179 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.89 -51.54 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.17 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -53.42 -53.16 55.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.59 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 73.030000000000001 111.098 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 64.219999999999999 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.517 ' C ' HD22 ' A' ' 2' ' ' LEU . 38.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 74.299999999999997 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -121.59 158.45 53.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 61.32 110.896 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.37 16.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 62.5 112.351 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.48 -47.65 83.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.019999999999996 110.914 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.505 HD11 ' H ' ' A' ' 2' ' ' LEU . 26.6 pt -77.05 -30.09 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 71.5 111.131 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.65 -52.37 21.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 63.039999999999999 110.923 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -51.12 -44.74 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.878 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -50.42 -43.86 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG22 HD12 ' A' ' 13' ' ' LEU . 41.9 mm -62.98 -42.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 63.130000000000003 111.174 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.87 -51.59 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 71.150000000000006 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -53.41 -53.17 55.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 71.340000000000003 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.69 84.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD12 HG22 ' A' ' 9' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 62.119999999999997 110.918 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.893 0.378 . . . . 74.25 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -120.62 158.41 51.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 72.219999999999999 110.9 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -34.79 13.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 71.310000000000002 112.367 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -60.78 -47.71 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 110.879 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.432 HD11 ' H ' ' A' ' 2' ' ' LEU . 26.6 pt -79.2 -30.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 111.118 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.7 tp -68.59 -52.13 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.89 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -50.68 -45.58 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 110.854 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -50.43 -43.54 54.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 13' ' ' LEU . 42.6 mm -63.28 -42.05 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 63.520000000000003 111.139 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.35 -51.55 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.209999999999994 111.135 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.5 -53.16 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.887 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.239999999999995 111.084 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 71.219999999999999 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.7 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.908 0.385 . . . . 73.400000000000006 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -121.13 158.43 52.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 64.219999999999999 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 73.219999999999999 112.362 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -60.7 -47.69 85.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.150000000000006 110.885 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.427 HD11 ' H ' ' A' ' 2' ' ' LEU . 25.3 pt -79.44 -30.44 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 111.072 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.6 tp -68.48 -52.04 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 61.340000000000003 110.92 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -50.67 -45.58 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -50.51 -43.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.87 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.431 HG22 HD12 ' A' ' 13' ' ' LEU . 42.0 mm -63.21 -42.04 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.129999999999995 111.164 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.89 -51.53 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 63.240000000000002 111.147 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 tpt85 -53.43 -53.14 55.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.120000000000005 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.73 84.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 51.520000000000003 111.076 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD12 HG22 ' A' ' 9' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 64.010000000000005 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.583 ' CE1' HD22 ' A' ' 6' ' ' LEU . 38.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.367 . . . . 71.510000000000005 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.478 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -118.8 158.76 46.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 71.340000000000003 110.9 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.32 7.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 63.149999999999999 112.354 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.02 -49.22 73.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.530000000000001 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -71.01 -34.79 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.583 HD22 ' CE1' ' A' ' 1' ' ' PHE . 12.2 tp -68.95 -52.29 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 60.329999999999998 110.923 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -50.68 -35.28 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 71.420000000000002 110.889 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -49.36 -47.55 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 71.340000000000003 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -72.48 -35.82 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.310000000000002 111.093 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.84 -51.55 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 111.129 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -53.21 -53.01 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 71.129999999999995 110.918 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.54 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 51.240000000000002 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD12 HG22 ' A' ' 9' ' ' ILE . 11.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 70.010000000000005 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.5 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 52.100000000000001 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.461 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -117.58 158.6 44.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.629 0.728 . . . . 74.019999999999996 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 61.210000000000001 112.309 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.26 -49.41 74.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.866 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -70.41 -33.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 63.219999999999999 111.157 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.9 tp -69.1 -53.74 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.230000000000004 110.896 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -51.9 -43.27 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -50.53 -44.47 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.209999999999994 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 13' ' ' LEU . 42.2 mm -62.4 -42.21 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 63.399999999999999 111.086 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.86 -51.54 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 111.163 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -53.44 -53.13 55.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.63 84.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.140000000000001 111.136 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 60.109999999999999 110.936 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.586 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.6 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.85 0.357 . . . . 54.049999999999997 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -117.59 158.62 44.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 74.109999999999999 110.942 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.63 6.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.667 2.245 . . . . 75.010000000000005 112.324 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -63.23 -49.43 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.909 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -70.46 -33.84 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 50.009999999999998 111.14 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 ' CE2' ' A' ' 1' ' ' PHE . 13.0 tp -69.19 -53.71 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.944 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -51.91 -43.31 63.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.46 -44.61 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 65.420000000000002 110.899 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 13' ' ' LEU . 41.8 mm -62.19 -42.25 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 111.134 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.9 -51.59 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.349999999999994 111.069 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.47 -53.18 55.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 65.230000000000004 110.854 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.61 84.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 51.420000000000002 111.078 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 71.040000000000006 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.561 ' HB2' HD11 ' A' ' 5' ' ' ILE . 37.0 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 64.030000000000001 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -112.24 158.19 37.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 44.43 110.937 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.42 7.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 74.409999999999997 112.326 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -63.96 -49.23 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.883 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 1' ' ' PHE . 2.7 pp -71.19 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 111.129 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -69.38 -52.26 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.239999999999995 110.908 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -51.45 -44.42 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -50.76 -44.3 58.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.549999999999997 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 13' ' ' LEU . 42.1 mm -62.54 -42.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 63.32 111.116 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.96 -51.48 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.310000000000002 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -53.41 -53.17 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 71.439999999999998 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.52 85.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 42.32 111.083 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.239999999999995 110.916 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.561 ' HB2' HD11 ' A' ' 5' ' ' ILE . 36.9 p90 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.861 0.363 . . . . 72.04 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -112.48 158.35 37.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.746 . . . . 71.21 110.904 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -38.52 7.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 74.34 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -64.14 -49.22 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 53.13 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 1' ' ' PHE . 2.7 pp -70.78 -33.91 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 63.22 111.085 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.5 tm? -69.71 -52.92 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.925 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.52 -46.78 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 44.45 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -50.97 -43.21 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 72.41 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.523 HG22 HD12 ' A' ' 13' ' ' LEU . 54.2 mt -63.74 -41.9 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.124 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.51 -51.51 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.47 -53.18 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.53 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 43.42 111.079 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 9' ' ' ILE . 11.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.928 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 65.33 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -114.14 157.54 41.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 73.13 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -34.47 14.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 64.4 112.316 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -60.3 -47.4 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.433 HD11 ' H ' ' A' ' 2' ' ' LEU . 24.0 pt -79.95 -29.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 63.22 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -68.63 -48.57 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 70.32 110.874 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -50.63 -37.47 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -49.68 -46.48 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 13' ' ' LEU . 5.3 mp -67.58 -38.72 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 75.1 111.146 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -51.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 62.51 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -53.43 -53.28 53.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.863 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.23 111.111 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 61.52 110.934 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.861 0.362 . . . . 71.42 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.451 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -109.68 156.73 39.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 73.22 110.963 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.0 11.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 74.24 112.311 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -58.67 -47.55 84.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 50.51 110.882 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.451 HD11 ' H ' ' A' ' 2' ' ' LEU . 25.2 pt -79.38 -30.08 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 55.01 111.125 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.537 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -67.27 -51.24 55.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 63.43 110.906 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -51.17 -45.84 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -50.59 -43.5 56.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.437 HG22 HD12 ' A' ' 13' ' ' LEU . 42.1 mm -63.24 -42.01 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.179 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.89 -51.54 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 75.33 111.17 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -53.42 -53.16 55.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.59 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.098 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 64.22 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.517 ' C ' HD22 ' A' ' 2' ' ' LEU . 38.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 74.3 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -121.59 158.45 53.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 61.32 110.896 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.37 16.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 62.5 112.351 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.48 -47.65 83.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.02 110.914 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.505 HD11 ' H ' ' A' ' 2' ' ' LEU . 26.6 pt -77.05 -30.09 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 71.5 111.131 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.65 -52.37 21.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 63.04 110.923 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -51.12 -44.74 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.878 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -50.42 -43.86 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.43 HG22 HD12 ' A' ' 13' ' ' LEU . 41.9 mm -62.98 -42.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 63.13 111.174 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.87 -51.59 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 71.15 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -53.41 -53.17 55.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.69 84.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 75.44 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD12 HG22 ' A' ' 9' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 62.12 110.918 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.893 0.378 . . . . 74.25 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -120.62 158.41 51.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 72.22 110.9 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -34.79 13.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 71.31 112.367 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -60.78 -47.71 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.879 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.432 HD11 ' H ' ' A' ' 2' ' ' LEU . 26.6 pt -79.2 -30.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.42 111.118 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.7 tp -68.59 -52.13 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.89 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -50.68 -45.58 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.854 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -50.43 -43.54 54.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 13' ' ' LEU . 42.6 mm -63.28 -42.05 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 63.52 111.139 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.35 -51.55 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.21 111.135 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.5 -53.16 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.887 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.24 111.084 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.7 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.908 0.385 . . . . 73.4 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -121.13 158.43 52.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 64.22 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 73.22 112.362 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -60.7 -47.69 85.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.885 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.427 HD11 ' H ' ' A' ' 2' ' ' LEU . 25.3 pt -79.44 -30.44 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 74.42 111.072 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.6 tp -68.48 -52.04 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 61.34 110.92 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -50.67 -45.58 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -50.51 -43.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.87 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.431 HG22 HD12 ' A' ' 13' ' ' LEU . 42.0 mm -63.21 -42.04 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.13 111.164 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.89 -51.53 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 63.24 111.147 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 tpt85 -53.43 -53.14 55.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.73 84.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 51.52 111.076 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD12 HG22 ' A' ' 9' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.583 ' CE1' HD22 ' A' ' 6' ' ' LEU . 38.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.367 . . . . 71.51 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.478 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -118.8 158.76 46.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 71.34 110.9 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.32 7.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 63.15 112.354 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.02 -49.22 73.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.53 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -71.01 -34.79 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.583 HD22 ' CE1' ' A' ' 1' ' ' PHE . 12.2 tp -68.95 -52.29 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 60.33 110.923 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -50.68 -35.28 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.889 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -49.36 -47.55 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 71.34 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -72.48 -35.82 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.31 111.093 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.84 -51.55 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.129 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -53.21 -53.01 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 71.13 110.918 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.54 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 51.24 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD12 HG22 ' A' ' 9' ' ' ILE . 11.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 70.01 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.5 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 52.1 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.461 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -117.58 158.6 44.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.629 0.728 . . . . 74.02 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 61.21 112.309 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.26 -49.41 74.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.866 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -70.41 -33.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 63.22 111.157 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.9 tp -69.1 -53.74 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.896 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -51.9 -43.27 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -50.53 -44.47 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 13' ' ' LEU . 42.2 mm -62.4 -42.21 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 63.4 111.086 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.86 -51.54 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 74.31 111.163 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -53.44 -53.13 55.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.63 84.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.14 111.136 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 60.11 110.936 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.586 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.6 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.85 0.357 . . . . 54.05 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.464 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -117.59 158.62 44.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 74.11 110.942 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.63 6.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.667 2.245 . . . . 75.01 112.324 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -63.23 -49.43 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.909 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -70.46 -33.84 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 50.01 111.14 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 ' CE2' ' A' ' 1' ' ' PHE . 13.0 tp -69.19 -53.71 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.944 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -51.91 -43.31 63.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.46 -44.61 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 65.42 110.899 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 13' ' ' LEU . 41.8 mm -62.19 -42.25 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.134 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.9 -51.59 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.35 111.069 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.47 -53.18 55.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 65.23 110.854 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.61 84.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 51.42 111.078 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 71.04 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.561 ' HB2' HD11 ' A' ' 5' ' ' ILE . 37.0 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 64.03 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -112.24 158.19 37.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 44.43 110.937 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.42 7.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 74.41 112.326 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -63.96 -49.23 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 1' ' ' PHE . 2.7 pp -71.19 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.129 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -69.38 -52.26 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.908 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -51.45 -44.42 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 65.12 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -50.76 -44.3 58.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 13' ' ' LEU . 42.1 mm -62.54 -42.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 63.32 111.116 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.96 -51.48 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.31 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -53.41 -53.17 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.52 85.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 42.32 111.083 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.916 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.561 ' HB2' HD11 ' A' ' 5' ' ' ILE . 36.9 p90 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.861 0.363 . . . . 72.04 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -112.48 158.35 37.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.668 0.746 . . . . 71.21 110.904 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -38.52 7.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 74.34 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -64.14 -49.22 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 53.13 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 1' ' ' PHE . 2.7 pp -70.78 -33.91 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 63.22 111.085 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.5 tm? -69.71 -52.92 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.925 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -52.52 -46.78 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 44.45 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -50.97 -43.21 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 72.41 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 HG22 HD12 ' A' ' 13' ' ' LEU . 54.2 mt -63.74 -41.9 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.124 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.51 -51.51 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.129 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.47 -53.18 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.899 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.53 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 43.42 111.079 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 9' ' ' ILE . 11.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.928 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 65.33 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -114.14 157.54 41.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 73.13 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -34.47 14.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 64.4 112.316 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -60.3 -47.4 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.433 HD11 ' H ' ' A' ' 2' ' ' LEU . 24.0 pt -79.95 -29.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 63.22 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -68.63 -48.57 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 70.32 110.874 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -50.63 -37.47 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -49.68 -46.48 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 13' ' ' LEU . 5.3 mp -67.58 -38.72 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 75.1 111.146 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.14 -51.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 62.51 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -53.43 -53.28 53.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.863 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.23 111.111 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 61.52 110.934 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.861 0.362 . . . . 71.42 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -109.68 156.73 39.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 73.22 110.963 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.0 11.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 74.24 112.311 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -58.67 -47.55 84.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 50.51 110.882 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.451 HD11 ' H ' ' A' ' 2' ' ' LEU . 25.2 pt -79.38 -30.08 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 55.01 111.125 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.537 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -67.27 -51.24 55.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 63.43 110.906 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -51.17 -45.84 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -50.59 -43.5 56.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 HG22 HD12 ' A' ' 13' ' ' LEU . 42.1 mm -63.24 -42.01 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.179 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.89 -51.54 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 75.33 111.17 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -53.42 -53.16 55.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.887 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.59 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.098 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 64.22 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.517 ' C ' HD22 ' A' ' 2' ' ' LEU . 38.1 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 74.3 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -121.59 158.45 53.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 61.32 110.896 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.37 16.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 62.5 112.351 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.48 -47.65 83.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.02 110.914 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.505 HD11 ' H ' ' A' ' 2' ' ' LEU . 26.6 pt -77.05 -30.09 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 71.5 111.131 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.65 -52.37 21.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 63.04 110.923 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -51.12 -44.74 61.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.878 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -50.42 -43.86 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG22 HD12 ' A' ' 13' ' ' LEU . 41.9 mm -62.98 -42.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 63.13 111.174 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.87 -51.59 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 71.15 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -53.41 -53.17 55.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.69 84.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 75.44 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD12 HG22 ' A' ' 9' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 62.12 110.918 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.893 0.378 . . . . 74.25 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -120.62 158.41 51.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 72.22 110.9 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -34.79 13.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 71.31 112.367 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -60.78 -47.71 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.879 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.432 HD11 ' H ' ' A' ' 2' ' ' LEU . 26.6 pt -79.2 -30.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.42 111.118 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.7 tp -68.59 -52.13 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.89 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -50.68 -45.58 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.854 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -50.43 -43.54 54.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 13' ' ' LEU . 42.6 mm -63.28 -42.05 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 63.52 111.139 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.35 -51.55 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.21 111.135 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.5 -53.16 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.887 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.24 111.084 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 9' ' ' ILE . 11.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.7 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.908 0.385 . . . . 73.4 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -121.13 158.43 52.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 64.22 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 73.22 112.362 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -60.7 -47.69 85.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.885 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.427 HD11 ' H ' ' A' ' 2' ' ' LEU . 25.3 pt -79.44 -30.44 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 74.42 111.072 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.6 tp -68.48 -52.04 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 61.34 110.92 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -50.67 -45.58 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.865 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -50.51 -43.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.87 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.431 HG22 HD12 ' A' ' 13' ' ' LEU . 42.0 mm -63.21 -42.04 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.13 111.164 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.89 -51.53 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 63.24 111.147 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 tpt85 -53.43 -53.14 55.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.73 84.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 51.52 111.076 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD12 HG22 ' A' ' 9' ' ' ILE . 11.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.583 ' CE1' HD22 ' A' ' 6' ' ' LEU . 38.7 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.367 . . . . 71.51 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.478 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -118.8 158.76 46.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.629 0.728 . . . . 71.34 110.9 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -38.32 7.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 63.15 112.354 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.02 -49.22 73.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.53 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -71.01 -34.79 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.583 HD22 ' CE1' ' A' ' 1' ' ' PHE . 12.2 tp -68.95 -52.29 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 60.33 110.923 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -50.68 -35.28 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.889 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -49.36 -47.55 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 71.34 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -72.48 -35.82 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.31 111.093 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.84 -51.55 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.129 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -53.21 -53.01 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 71.13 110.918 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.54 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 51.24 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD12 HG22 ' A' ' 9' ' ' ILE . 11.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 70.01 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.5 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 52.1 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.461 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -117.58 158.6 44.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.629 0.728 . . . . 74.02 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 61.21 112.309 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.26 -49.41 74.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.866 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -70.41 -33.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 63.22 111.157 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 1' ' ' PHE . 12.9 tp -69.1 -53.74 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.896 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -51.9 -43.27 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -50.53 -44.47 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 13' ' ' LEU . 42.2 mm -62.4 -42.21 94.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 63.4 111.086 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.86 -51.54 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 74.31 111.163 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -53.44 -53.13 55.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.63 84.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.14 111.136 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 60.11 110.936 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.586 ' CE2' HD22 ' A' ' 6' ' ' LEU . 38.6 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.85 0.357 . . . . 54.05 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -117.59 158.62 44.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 74.11 110.942 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.63 6.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.667 2.245 . . . . 75.01 112.324 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -63.23 -49.43 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.909 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 6' ' ' LEU . 2.7 pp -70.46 -33.84 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 50.01 111.14 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 ' CE2' ' A' ' 1' ' ' PHE . 13.0 tp -69.19 -53.71 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.944 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -51.91 -43.31 63.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.46 -44.61 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 65.42 110.899 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 13' ' ' LEU . 41.8 mm -62.19 -42.25 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.134 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.9 -51.59 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.35 111.069 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.47 -53.18 55.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 65.23 110.854 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.61 84.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 51.42 111.078 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 71.04 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.561 ' HB2' HD11 ' A' ' 5' ' ' ILE . 37.0 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 64.03 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' H ' HD11 ' A' ' 5' ' ' ILE . 4.5 mm? -112.24 158.19 37.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 44.43 110.937 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.42 7.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 74.41 112.326 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -63.96 -49.23 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 1' ' ' PHE . 2.7 pp -71.19 -34.03 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.129 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 6' ' ' LEU . 3.4 tm? -69.38 -52.26 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.908 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -51.45 -44.42 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 65.12 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -50.76 -44.3 58.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 13' ' ' LEU . 42.1 mm -62.54 -42.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 63.32 111.116 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.96 -51.48 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.31 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -53.41 -53.17 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.52 85.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 42.32 111.083 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 9' ' ' ILE . 11.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.916 -179.971 . . . . . . . . 1 1 . 1 stop_ save_