data_6bvx_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 6bvx _Structure_validation_residue.Date_analyzed 2018-12-14 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' ' ' CYS . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.905 0.383 . . . . 63.32 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 p -98.09 155.43 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.6 m80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 73.51 110.844 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.645 0.736 . . . . 72.5 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 120.19 7.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 75.14 112.436 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 pt -139.06 163.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 73.33 111.178 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -125.42 139.5 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.214 -0.448 . . . . 65.53 110.827 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.43 160.21 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.816 0.817 . . . . 72.24 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -16.68 37.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 72.03 112.424 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.4 -42.63 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.955 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.55 39.21 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 74.2 112.447 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 74.44 110.946 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 75.14 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.08 175.94 6.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 62.23 111.09 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.52 110.912 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 m-90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.6 0.714 . . . . 72.01 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 140.49 42.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 60.32 112.397 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.4 mm -130.33 138.75 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.143 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.1 m -109.16 129.15 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 40.34 110.721 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -107.39 160.56 26.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 73.31 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -21.76 32.97 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.735 2.29 . . . . 63.03 112.41 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -77.08 -45.3 27.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.855 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.08 52.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 53.03 112.535 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 72.44 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.878 0.37 . . . . 73.31 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 p -104.78 160.48 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.34 111.142 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.876 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.49 0.662 . . . . 75.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 72.42 112.334 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.03 171.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -132.28 131.51 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 62.33 110.904 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -92.58 160.37 34.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.699 0.762 . . . . 71.23 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -31.58 20.16 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.667 2.245 . . . . 64.34 112.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.25 -26.78 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 75.05 110.85 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.84 75.1 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.806 -0.711 . . . . 74.24 112.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 73.15 110.913 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.977 0.418 . . . . 73.01 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -94.86 149.84 20.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 72.22 111.216 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.3 m170 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.885 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.597 0.713 . . . . 74.42 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 112.54 3.11 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.219 . . . . 74.3 112.367 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.5 mm -128.97 136.13 60.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 63.54 111.038 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.45 149.5 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 71.32 110.889 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.99 160.28 32.93 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 74.44 110.913 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -32.3 18.97 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.761 2.307 . . . . 73.13 112.394 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -48.81 59.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.913 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.11 65.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.634 -0.793 . . . . 75.54 112.4 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 72.41 110.884 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.909 0.385 . . . . 61.23 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 143.98 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 74.33 111.156 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.861 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 121.519 0.676 . . . . 72.2 111.025 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 125.3 12.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.546 2.164 . . . . 75.11 112.367 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -148.29 133.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.11 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 m -89.99 128.73 36.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -98.16 160.24 28.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.794 0.807 . . . . 73.31 110.771 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.06 32.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 70.34 112.354 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -74.33 -25.6 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.81 34.94 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 53.54 112.48 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 75.23 110.79 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.931 0.396 . . . . 73.25 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.55 150.07 22.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 71.52 111.1 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 m80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 73.41 110.86 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.8 t90 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.594 0.711 . . . . 72.41 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.812 2.342 . . . . 62.44 112.208 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.0 pt -150.09 163.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 73.02 111.152 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.04 139.24 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 51.13 110.848 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.8 160.34 28.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 71.31 110.824 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.27 11.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 73.51 112.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.73 -26.41 45.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.915 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.2 21.9 6.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 73.13 112.426 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.356 . . . . 73.01 110.851 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.905 0.383 . . . . 74.45 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.93 179.55 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.105 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.864 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.642 0.734 . . . . 73.24 110.938 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 77.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 73.12 112.309 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -150.07 151.18 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 74.43 111.109 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.8 t -125.5 140.02 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.97 160.3 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.665 0.745 . . . . 74.33 110.88 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.84 -29.42 23.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 70.41 112.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -62.92 -42.84 99.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.965 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.63 -34.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 71.33 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.847 0.356 . . . . 71.43 110.828 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.907 0.384 . . . . 65.12 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -89.92 149.81 22.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.493 . . . . 75.53 111.075 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 73.54 110.904 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.575 0.703 . . . . 74.25 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 130.42 19.32 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 72.03 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 tt -129.88 132.2 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.35 111.116 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.39 120.56 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.867 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.59 160.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 63.13 110.938 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -13.91 35.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 72.12 112.455 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.07 -29.2 60.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.943 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.65 -42.46 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 72.42 112.448 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 73.03 111.017 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.053 0.454 . . . . 71.23 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -121.11 -171.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 70.01 111.243 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 71.43 110.841 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.603 0.716 . . . . 75.42 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -177.81 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.757 2.305 . . . . 75.43 112.239 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.08 174.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.089 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.53 128.52 33.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 73.33 111.027 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -90.24 160.4 39.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.671 0.748 . . . . 74.13 110.869 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -35.74 12.25 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.273 . . . . 75.35 112.41 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.99 -25.41 66.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.877 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.0 63.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 70.22 112.538 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 75.33 110.894 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.037 0.446 . . . . 74.1 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 p -99.63 164.28 12.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.483 . . . . 64.42 111.134 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.4 m80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.881 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.545 0.688 . . . . 73.33 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 114.03 3.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 71.14 112.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.51 144.59 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 75.25 111.136 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.5 m -114.55 122.42 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 52.24 110.921 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -96.76 160.37 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.627 0.727 . . . . 75.25 110.882 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.11 36.95 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 63.22 112.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -68.59 -41.33 79.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.823 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.29 -20.92 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 63.2 112.367 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 74.35 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 73.53 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.21 142.84 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 65.45 111.172 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 73.43 110.909 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 121.57 0.7 . . . . 73.03 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 90.31 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.6 2.2 . . . . 71.13 112.322 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.2 mm -129.4 135.32 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 75.43 111.147 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.6 m -103.22 145.85 29.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 65.25 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.7 160.19 28.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.619 0.723 . . . . 74.21 110.963 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.79 37.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 75.54 112.365 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -75.29 -36.21 61.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.863 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.88 40.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.76 -0.733 . . . . 74.42 112.557 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 73.52 110.898 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.966 0.412 . . . . 64.43 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 174.96 7.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 65.13 111.051 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.899 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.493 0.663 . . . . 74.44 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 129.76 18.11 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 75.1 112.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.89 149.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 64.55 111.156 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -119.25 122.79 42.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 65.43 110.849 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -100.18 160.39 27.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.706 0.765 . . . . 74.23 110.833 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.45 37.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.627 2.218 . . . . 64.01 112.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.74 -65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 75.51 110.888 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.08 53.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 65.23 110.888 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.909 0.385 . . . . 72.43 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.66 -179.26 5.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 75.12 111.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 73.21 110.817 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.519 0.676 . . . . 75.41 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -168.78 0.29 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.743 2.295 . . . . 72.43 112.323 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.18 161.61 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 64.11 111.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.33 138.27 52.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.927 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.06 160.29 32.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 74.4 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.75 35.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 72.53 112.37 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.57 -53.88 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.42 43.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 71.1 112.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 71.53 110.832 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 53.13 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -90.0 -170.78 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 75.21 111.046 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.862 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.5 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.623 0.725 . . . . 74.43 110.931 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 103.28 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 72.05 112.366 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -148.02 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.43 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -122.19 164.18 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 64.53 110.83 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -106.04 160.52 25.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 70.2 110.754 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -16.41 37.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.597 2.198 . . . . 75.31 112.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.56 -36.61 12.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.895 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.39 49.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 64.32 112.479 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 74.25 110.854 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 72.44 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -99.69 151.58 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.22 111.2 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.418 . . . . 73.44 110.857 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.47 0.653 . . . . 75.03 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.38 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 71.13 112.309 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -145.71 137.76 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.21 111.104 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.72 146.19 35.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 70.34 110.899 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -89.94 160.65 40.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 75.52 110.93 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.92 -8.49 23.72 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.758 2.305 . . . . 72.42 112.227 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.7 -32.18 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 73.2 110.913 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.45 81.32 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 65.43 112.452 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 73.11 110.841 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 62.45 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.35 165.86 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.112 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 74.05 110.974 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.458 0.647 . . . . 73.23 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.523 2.148 . . . . 74.1 112.284 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -135.02 135.88 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.031 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.7 m -112.62 139.71 47.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.21 110.913 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -93.83 161.21 30.79 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.584 0.707 . . . . 73.2 110.926 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.258 . . . . 62.44 112.296 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.1 -41.01 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.24 110.998 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.54 67.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 70.41 112.633 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.833 0.349 . . . . 75.24 110.958 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 62.15 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -89.62 -171.84 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.12 111.176 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.954 179.862 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.476 0.655 . . . . 73.24 110.82 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 64.4 112.315 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mm -118.62 137.0 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.52 111.147 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.7 t -122.74 129.25 51.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 44.33 110.79 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.13 160.29 41.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.701 0.762 . . . . 63.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -24.57 29.78 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.712 2.275 . . . . 74.12 112.396 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.41 -29.05 67.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 73.4 110.945 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.0 32.52 0.85 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.707 -0.759 . . . . 70.45 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.747 0.308 . . . . 75.03 110.857 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 74.24 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -93.86 -171.51 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 75.41 111.099 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 p80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.856 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.595 0.712 . . . . 74.41 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 98.25 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 72.41 112.445 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.65 138.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 75.41 111.133 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.41 149.36 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 44.54 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -89.96 160.62 40.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 74.3 110.784 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.682 2.254 . . . . 63.23 112.382 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.99 -25.34 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.809 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.86 71.78 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 43.21 112.483 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 74.23 110.904 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.852 0.358 . . . . 75.02 110.799 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.91 176.24 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.51 111.111 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.841 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.549 0.69 . . . . 75.23 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 109.5 2.35 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.585 2.19 . . . . 73.1 112.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.96 169.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.31 111.124 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -135.31 139.16 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.46 160.3 51.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 70.42 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.86 -14.68 36.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 72.23 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.3 -44.09 26.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 72.44 110.889 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.9 -24.81 1.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 73.51 112.609 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 73.21 110.874 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.884 0.373 . . . . 70.04 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 p -89.71 165.01 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.074 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 65.35 110.891 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.521 0.677 . . . . 74.21 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.33 2.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.631 2.221 . . . . 73.13 112.315 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.33 137.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.42 111.149 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -100.74 124.69 46.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.806 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.94 160.68 40.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.709 0.766 . . . . 74.34 110.891 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.38 23.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 72.53 112.319 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -90.16 -33.8 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 71.43 110.872 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.95 82.43 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.688 -0.768 . . . . 70.03 112.5 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 65.22 110.755 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.905 0.383 . . . . 63.32 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 p -98.09 155.43 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -144.12 119.76 10.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 73.51 110.844 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 56.97 68.99 1.84 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.645 0.736 . . . . 72.5 110.985 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 120.19 7.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 75.14 112.436 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 pt -139.06 163.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 73.33 111.178 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -125.42 139.5 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.214 -0.448 . . . . 65.53 110.827 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.43 160.21 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.816 0.817 . . . . 72.24 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -16.68 37.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 72.03 112.424 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.4 -42.63 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.955 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.55 39.21 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 74.2 112.447 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 74.44 110.946 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 75.14 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.08 175.94 6.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 62.23 111.09 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -160.42 136.27 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.52 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 m-90 58.36 73.61 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 72.01 110.968 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 140.49 42.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 60.32 112.397 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.4 mm -130.33 138.75 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.143 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.1 m -109.16 129.15 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 40.34 110.721 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -107.39 160.56 26.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 73.31 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -21.76 32.97 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.735 2.29 . . . . 63.03 112.41 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -77.08 -45.3 27.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.855 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.08 52.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 53.03 112.535 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 72.44 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.878 0.37 . . . . 73.31 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 p -104.78 160.48 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.34 111.142 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -146.01 125.68 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 59.03 71.92 0.89 Allowed Pre-proline 0 C--N 1.327 -0.412 0 CA-C-O 121.49 0.662 . . . . 75.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 72.42 112.334 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.03 171.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -132.28 131.51 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 62.33 110.904 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -92.58 160.37 34.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.699 0.762 . . . . 71.23 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -31.58 20.16 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.667 2.245 . . . . 64.34 112.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.25 -26.78 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 75.05 110.85 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.84 75.1 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.806 -0.711 . . . . 74.24 112.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 73.15 110.913 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.977 0.418 . . . . 73.01 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -94.86 149.84 20.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 72.22 111.216 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -135.27 124.18 24.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 57.48 73.52 0.76 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 74.42 110.929 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 112.54 3.11 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.219 . . . . 74.3 112.367 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.5 mm -128.97 136.13 60.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 63.54 111.038 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.45 149.5 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 71.32 110.889 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.99 160.28 32.93 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 74.44 110.913 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -32.3 18.97 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.761 2.307 . . . . 73.13 112.394 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -48.81 59.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.913 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.11 65.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.634 -0.793 . . . . 75.54 112.4 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 72.41 110.884 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.909 0.385 . . . . 61.23 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 143.98 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 74.33 111.156 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -132.46 118.55 19.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 72.35 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 55.42 72.52 1.03 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.519 0.676 . . . . 72.2 111.025 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 125.3 12.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.546 2.164 . . . . 75.11 112.367 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -148.29 133.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.11 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 m -89.99 128.73 36.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -98.16 160.24 28.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.794 0.807 . . . . 73.31 110.771 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.06 32.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 70.34 112.354 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -74.33 -25.6 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.81 34.94 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 53.54 112.48 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 75.23 110.79 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.931 0.396 . . . . 73.25 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.55 150.07 22.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 71.52 111.1 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -150.82 122.49 8.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 73.41 110.86 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -176.08 73.58 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 72.41 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.812 2.342 . . . . 62.44 112.208 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.0 pt -150.09 163.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 73.02 111.152 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.04 139.24 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 51.13 110.848 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.8 160.34 28.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 71.31 110.824 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.27 11.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 73.51 112.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.73 -26.41 45.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.915 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.2 21.9 6.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 73.13 112.426 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.356 . . . . 73.01 110.851 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.905 0.383 . . . . 74.45 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.93 179.55 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.105 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -172.76 119.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.34 75.12 0.72 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.642 0.734 . . . . 73.24 110.938 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 77.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 73.12 112.309 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -150.07 151.18 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 74.43 111.109 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.8 t -125.5 140.02 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.97 160.3 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.665 0.745 . . . . 74.33 110.88 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.84 -29.42 23.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 70.41 112.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -62.92 -42.84 99.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.965 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.63 -34.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 71.33 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.847 0.356 . . . . 71.43 110.828 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.907 0.384 . . . . 65.12 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -89.92 149.81 22.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.493 . . . . 75.53 111.075 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.98 129.64 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 73.54 110.904 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 61.1 74.47 0.52 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.703 . . . . 74.25 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 130.42 19.32 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 72.03 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 tt -129.88 132.2 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.35 111.116 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.39 120.56 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.867 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.59 160.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 63.13 110.938 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -13.91 35.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 72.12 112.455 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.07 -29.2 60.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.943 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.65 -42.46 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 72.42 112.448 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 73.03 111.017 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.053 0.454 . . . . 71.23 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -121.11 -171.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 70.01 111.243 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -166.16 144.55 5.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 71.43 110.841 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 51.72 65.15 6.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.603 0.716 . . . . 75.42 110.879 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -177.81 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.757 2.305 . . . . 75.43 112.239 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.08 174.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.089 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.53 128.52 33.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 73.33 111.027 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -90.24 160.4 39.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.671 0.748 . . . . 74.13 110.869 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -35.74 12.25 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.273 . . . . 75.35 112.41 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.99 -25.41 66.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.877 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.0 63.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 70.22 112.538 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 75.33 110.894 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.037 0.446 . . . . 74.1 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 p -99.63 164.28 12.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.483 . . . . 64.42 111.134 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -151.59 120.27 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 58.63 70.21 1.24 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.545 0.688 . . . . 73.33 110.926 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 114.03 3.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 71.14 112.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.51 144.59 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 75.25 111.136 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.5 m -114.55 122.42 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 52.24 110.921 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -96.76 160.37 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.627 0.727 . . . . 75.25 110.882 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.11 36.95 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 63.22 112.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -68.59 -41.33 79.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.823 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.29 -20.92 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 63.2 112.367 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 74.35 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 73.53 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.21 142.84 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 65.45 111.172 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -124.78 103.8 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 73.43 110.909 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 50.79 73.46 0.98 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 73.03 110.893 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 90.31 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.6 2.2 . . . . 71.13 112.322 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.2 mm -129.4 135.32 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 75.43 111.147 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.6 m -103.22 145.85 29.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 65.25 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.7 160.19 28.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.619 0.723 . . . . 74.21 110.963 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.79 37.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 75.54 112.365 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -75.29 -36.21 61.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.863 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.88 40.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.76 -0.733 . . . . 74.42 112.557 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 73.52 110.898 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.966 0.412 . . . . 64.43 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 174.96 7.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 65.13 111.051 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -173.58 110.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -112.94 76.1 2.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.493 0.663 . . . . 74.44 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 129.76 18.11 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 75.1 112.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.89 149.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 64.55 111.156 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -119.25 122.79 42.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 65.43 110.849 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -100.18 160.39 27.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.706 0.765 . . . . 74.23 110.833 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.45 37.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.627 2.218 . . . . 64.01 112.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.74 -65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 75.51 110.888 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.08 53.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 65.23 110.888 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.909 0.385 . . . . 72.43 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.66 -179.26 5.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 75.12 111.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -106.03 -170.95 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 73.21 110.817 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -179.63 60.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.519 0.676 . . . . 75.41 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -168.78 0.29 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.743 2.295 . . . . 72.43 112.323 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.18 161.61 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 64.11 111.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.33 138.27 52.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.927 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.06 160.29 32.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 74.4 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.75 35.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 72.53 112.37 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.57 -53.88 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.42 43.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 71.1 112.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 71.53 110.832 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 53.13 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -90.0 -170.78 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 75.21 111.046 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -158.43 107.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . 0.459 ' C ' ' CG ' ' A' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.459 ' CG ' ' C ' ' A' ' 5' ' ' MMO . 12.5 p90 36.27 76.56 0.44 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.623 0.725 . . . . 74.43 110.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 103.28 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 72.05 112.366 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -148.02 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.43 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -122.19 164.18 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 64.53 110.83 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -106.04 160.52 25.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 70.2 110.754 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -16.41 37.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.597 2.198 . . . . 75.31 112.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.56 -36.61 12.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.895 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.39 49.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 64.32 112.479 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 74.25 110.854 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 72.44 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -99.69 151.58 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.22 111.2 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -81.69 -169.21 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.418 . . . . 73.44 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -138.67 82.75 20.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.47 0.653 . . . . 75.03 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.38 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 71.13 112.309 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -145.71 137.76 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.21 111.104 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.72 146.19 35.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 70.34 110.899 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -89.94 160.65 40.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 75.52 110.93 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.92 -8.49 23.72 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.758 2.305 . . . . 72.42 112.227 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.7 -32.18 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 73.2 110.913 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.45 81.32 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 65.43 112.452 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 73.11 110.841 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 62.45 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.35 165.86 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.112 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -101.04 -174.7 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 74.05 110.974 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -149.5 78.91 8.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.458 0.647 . . . . 73.23 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.523 2.148 . . . . 74.1 112.284 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -135.02 135.88 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.031 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.7 m -112.62 139.71 47.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.21 110.913 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -93.83 161.21 30.79 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.584 0.707 . . . . 73.2 110.926 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.258 . . . . 62.44 112.296 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.1 -41.01 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.24 110.998 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.54 67.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 70.41 112.633 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.833 0.349 . . . . 75.24 110.958 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 62.15 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -89.62 -171.84 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.12 111.176 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -164.68 114.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.954 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 49.99 78.51 0.4 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.476 0.655 . . . . 73.24 110.82 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 64.4 112.315 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mm -118.62 137.0 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.52 111.147 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.7 t -122.74 129.25 51.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 44.33 110.79 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.13 160.29 41.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.701 0.762 . . . . 63.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -24.57 29.78 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.712 2.275 . . . . 74.12 112.396 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.41 -29.05 67.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 73.4 110.945 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.0 32.52 0.85 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.707 -0.759 . . . . 70.45 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.747 0.308 . . . . 75.03 110.857 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 74.24 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -93.86 -171.51 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 75.41 111.099 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -113.64 -168.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.856 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -138.96 85.11 16.46 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.595 0.712 . . . . 74.41 110.914 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 98.25 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 72.41 112.445 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.65 138.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 75.41 111.133 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.41 149.36 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 44.54 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -89.96 160.62 40.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 74.3 110.784 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.682 2.254 . . . . 63.23 112.382 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.99 -25.34 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.809 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.86 71.78 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 43.21 112.483 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 74.23 110.904 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.852 0.358 . . . . 75.02 110.799 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.91 176.24 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.51 111.111 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -146.97 -56.61 0.26 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.841 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . 0.441 ' C ' ' CG ' ' A' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.441 ' CG ' ' C ' ' A' ' 5' ' ' MMO . 19.0 p90 36.73 65.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 75.23 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 109.5 2.35 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.585 2.19 . . . . 73.1 112.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.96 169.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.31 111.124 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -135.31 139.16 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.46 160.3 51.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 70.42 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.86 -14.68 36.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 72.23 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.3 -44.09 26.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 72.44 110.889 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.9 -24.81 1.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 73.51 112.609 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 73.21 110.874 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.884 0.373 . . . . 70.04 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 p -89.71 165.01 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.074 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -96.87 -168.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 65.35 110.891 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -162.2 67.13 1.99 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 121.521 0.677 . . . . 74.21 111.015 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.33 2.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.631 2.221 . . . . 73.13 112.315 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.33 137.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.42 111.149 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -100.74 124.69 46.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.806 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.94 160.68 40.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.709 0.766 . . . . 74.34 110.891 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.38 23.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 72.53 112.319 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -90.16 -33.8 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 71.43 110.872 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.95 82.43 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.688 -0.768 . . . . 70.03 112.5 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 65.22 110.755 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.905 0.383 . . . . 63.32 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 p -98.09 155.43 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.6 m80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.844 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.645 0.736 . . . . 72.5 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 120.19 7.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 50.41 112.436 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 pt -139.06 163.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 63.12 111.178 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -125.42 139.5 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.214 -0.448 . . . . 65.42 110.827 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.43 160.21 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.816 0.817 . . . . 53.34 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -16.68 37.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 64.24 112.424 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.4 -42.63 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.955 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.55 39.21 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 72.43 112.447 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 74.44 110.946 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 75.14 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.08 175.94 6.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 62.23 111.09 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 61.23 110.912 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 m-90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.6 0.714 . . . . 71.1 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.705 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.86 140.49 42.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 60.32 112.397 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 7' ' ' PRO . 28.4 mm -130.33 138.75 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.1 m -109.16 129.15 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 40.34 110.721 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -107.39 160.56 26.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 73.31 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -21.76 32.97 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.735 2.29 . . . . 63.03 112.41 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -77.08 -45.3 27.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.855 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.08 52.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 43.23 112.535 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 71.52 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.878 0.37 . . . . 52.41 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 p -104.78 160.48 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.34 111.142 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.876 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.49 0.662 . . . . 65.44 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 72.42 112.334 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.03 171.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -132.28 131.51 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 62.33 110.904 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -92.58 160.37 34.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.699 0.762 . . . . 60.33 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -31.58 20.16 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.667 2.245 . . . . 63.01 112.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.25 -26.78 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 75.05 110.85 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.84 75.1 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.806 -0.711 . . . . 73.22 112.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.01 110.913 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.977 0.418 . . . . 71.02 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -94.86 149.84 20.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.216 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.3 m170 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.597 0.713 . . . . 74.42 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.634 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.1 Cg_endo -69.81 112.54 3.11 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.219 . . . . 71.42 112.367 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.634 HD13 ' O ' ' A' ' 7' ' ' PRO . 31.5 mm -128.97 136.13 60.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 63.54 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.45 149.5 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 44.11 110.889 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.99 160.28 32.93 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 74.44 110.913 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -32.3 18.97 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.761 2.307 . . . . 73.13 112.394 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -48.81 59.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 62.14 110.913 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.11 65.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.634 -0.793 . . . . 64.13 112.4 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 72.41 110.884 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.909 0.385 . . . . 61.23 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 143.98 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 43.41 111.156 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 64.44 110.861 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 121.519 0.676 . . . . 64.21 111.025 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 125.3 12.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.546 2.164 . . . . 75.11 112.367 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -148.29 133.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.11 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 m -89.99 128.73 36.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -98.16 160.24 28.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.794 0.807 . . . . 73.31 110.771 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.06 32.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 70.34 112.354 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -74.33 -25.6 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 65.23 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.81 34.94 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 33.03 112.48 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 75.23 110.79 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.931 0.396 . . . . 73.25 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.55 150.07 22.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 71.52 111.1 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 m80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 72.34 110.86 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.48 ' NE1' HD13 ' A' ' 8' ' ' ILE . 1.8 t90 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.594 0.711 . . . . 65.51 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.812 2.342 . . . . 40.31 112.208 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.48 HD13 ' NE1' ' A' ' 6' ' ' TRP . 40.0 pt -150.09 163.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 71.32 111.152 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.04 139.24 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 45.24 110.848 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.8 160.34 28.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 71.31 110.824 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.27 11.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 73.51 112.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.73 -26.41 45.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.915 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.2 21.9 6.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 73.13 112.426 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.356 . . . . 73.01 110.851 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.905 0.383 . . . . 74.45 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.93 179.55 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 64.42 111.105 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 72.21 110.864 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.642 0.734 . . . . 73.21 110.938 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 77.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 34.32 112.309 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -150.07 151.18 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 74.43 111.109 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.8 t -125.5 140.02 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.97 160.3 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.665 0.745 . . . . 63.55 110.88 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.84 -29.42 23.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 70.41 112.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -62.92 -42.84 99.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.965 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.63 -34.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 52.12 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.847 0.356 . . . . 71.43 110.828 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.907 0.384 . . . . 65.12 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -89.92 149.81 22.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.493 . . . . 72.44 111.075 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 72.21 110.904 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.575 0.703 . . . . 74.25 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 130.42 19.32 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 72.03 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 tt -129.88 132.2 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.35 111.116 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.39 120.56 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.867 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.59 160.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 63.13 110.938 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -13.91 35.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 72.12 112.455 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.07 -29.2 60.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.943 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.65 -42.46 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 61.13 112.448 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 70.15 111.017 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.053 0.454 . . . . 71.23 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 7' ' ' PRO . 7.0 t -121.11 -171.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 70.01 111.243 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 54.41 110.841 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.603 0.716 . . . . 75.42 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.644 ' HB3' HG23 ' A' ' 2' ' ' THR . 53.1 Cg_endo -69.72 -177.81 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.757 2.305 . . . . 75.43 112.239 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.08 174.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.089 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.53 128.52 33.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 65.42 111.027 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -90.24 160.4 39.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.671 0.748 . . . . 74.13 110.869 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -35.74 12.25 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.273 . . . . 75.35 112.41 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.99 -25.41 66.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 55.44 110.877 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.0 63.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 70.22 112.538 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 73.4 110.894 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.037 0.446 . . . . 54.43 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 p -99.63 164.28 12.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.483 . . . . 51.2 111.134 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.4 m80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.881 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.545 0.688 . . . . 73.33 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 114.03 3.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 71.14 112.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.51 144.59 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 75.25 111.136 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.44 ' N ' HD13 ' A' ' 8' ' ' ILE . 2.5 m -114.55 122.42 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 50.44 110.921 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -96.76 160.37 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.627 0.727 . . . . 74.01 110.882 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.11 36.95 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 52.12 112.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -68.59 -41.33 79.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.823 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.29 -20.92 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 63.15 112.367 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 72.31 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 73.53 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.21 142.84 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 65.45 111.172 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 73.43 110.909 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 121.57 0.7 . . . . 73.03 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.725 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.86 90.31 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.6 2.2 . . . . 71.13 112.322 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 7' ' ' PRO . 24.2 mm -129.4 135.32 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 75.43 111.147 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.6 m -103.22 145.85 29.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 64.31 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.7 160.19 28.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.619 0.723 . . . . 74.21 110.963 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.79 37.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 75.54 112.365 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -75.29 -36.21 61.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.863 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.88 40.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.76 -0.733 . . . . 72.22 112.557 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 73.32 110.898 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.966 0.412 . . . . 64.43 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 174.96 7.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 65.13 111.051 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.899 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.493 0.663 . . . . 71.13 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 129.76 18.11 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 75.1 112.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.89 149.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 62.23 111.156 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -119.25 122.79 42.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 40.31 110.849 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -100.18 160.39 27.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.706 0.765 . . . . 74.23 110.833 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.45 37.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.627 2.218 . . . . 64.01 112.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.74 -65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.888 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.08 53.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 65.23 110.888 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.909 0.385 . . . . 72.1 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.66 -179.26 5.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 75.12 111.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 73.21 110.817 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.519 0.676 . . . . 75.3 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -168.78 0.29 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.743 2.295 . . . . 61.24 112.323 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.18 161.61 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.33 138.27 52.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 62.05 110.927 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.06 160.29 32.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 73.14 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.75 35.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 72.41 112.37 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.57 -53.88 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.42 43.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 33.12 112.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 64.33 110.832 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 30.32 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -90.0 -170.78 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 73.22 111.046 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.862 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.5 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.623 0.725 . . . . 74.43 110.931 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 103.28 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 72.05 112.366 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -148.02 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.43 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -122.19 164.18 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 40.44 110.83 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -106.04 160.52 25.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 70.2 110.754 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -16.41 37.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.597 2.198 . . . . 75.31 112.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.56 -36.61 12.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.895 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.39 49.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.479 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 71.21 110.854 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 72.44 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -99.69 151.58 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 65.32 111.2 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.418 . . . . 65.14 110.857 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.47 0.653 . . . . 74.41 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.38 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 71.13 112.309 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.6 pp -145.71 137.76 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.11 111.104 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.72 146.19 35.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 53.11 110.899 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -89.94 160.65 40.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 72.53 110.93 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.92 -8.49 23.72 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.758 2.305 . . . . 72.42 112.227 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.7 -32.18 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 73.2 110.913 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.45 81.32 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 60.42 112.452 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 73.11 110.841 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 51.15 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.35 165.86 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 65.42 111.112 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 65.21 110.974 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.458 0.647 . . . . 64.12 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.523 2.148 . . . . 63.54 112.284 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -135.02 135.88 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.031 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.7 m -112.62 139.71 47.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.21 110.913 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -93.83 161.21 30.79 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.584 0.707 . . . . 62.24 110.926 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.258 . . . . 62.44 112.296 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.1 -41.01 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.24 110.998 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.54 67.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 70.41 112.633 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.833 0.349 . . . . 53.32 110.958 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 62.15 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 8' ' ' ILE . 7.6 t -89.62 -171.84 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.12 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.954 179.862 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.476 0.655 . . . . 72.45 110.82 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.612 ' C ' HD13 ' A' ' 8' ' ' ILE . 54.5 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 52.01 112.315 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.612 HD13 ' C ' ' A' ' 7' ' ' PRO . 7.4 mm -118.62 137.0 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.52 111.147 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.7 t -122.74 129.25 51.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 44.33 110.79 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.13 160.29 41.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.701 0.762 . . . . 63.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -24.57 29.78 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.712 2.275 . . . . 74.12 112.396 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.41 -29.05 67.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 73.4 110.945 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.0 32.52 0.85 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.707 -0.759 . . . . 63.14 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.747 0.308 . . . . 72.44 110.857 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 73.2 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -93.86 -171.51 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 75.41 111.099 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 p80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.856 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.595 0.712 . . . . 74.41 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 98.25 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 72.41 112.445 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.65 138.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.133 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.41 149.36 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 44.54 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -89.96 160.62 40.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 74.23 110.784 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.682 2.254 . . . . 63.23 112.382 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.99 -25.34 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.809 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.86 71.78 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 43.21 112.483 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 72.43 110.904 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.852 0.358 . . . . 75.02 110.799 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.91 176.24 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.51 111.111 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 63.21 110.841 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.549 0.69 . . . . 75.23 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 109.5 2.35 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.585 2.19 . . . . 73.1 112.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -142.96 169.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.124 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -135.31 139.16 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.46 160.3 51.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 53.3 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.86 -14.68 36.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 72.23 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.3 -44.09 26.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 72.42 110.889 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.9 -24.81 1.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 73.51 112.609 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 61.53 110.874 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.884 0.373 . . . . 51.41 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 p -89.71 165.01 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.074 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 65.35 110.891 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.521 0.677 . . . . 74.21 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.33 2.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.631 2.221 . . . . 73.13 112.315 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.33 137.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 60.24 111.149 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -100.74 124.69 46.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 53.51 110.806 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.94 160.68 40.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.709 0.766 . . . . 74.34 110.891 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.38 23.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 72.53 112.319 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -90.16 -33.8 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 71.43 110.872 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.95 82.43 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.688 -0.768 . . . . 61.5 112.5 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 65.22 110.755 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.905 0.383 . . . . 63.32 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 p -98.09 155.43 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -144.12 119.76 10.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.844 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.41 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.41 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 56.97 68.99 1.84 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.645 0.736 . . . . 72.5 110.985 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 120.19 7.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 50.41 112.436 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 pt -139.06 163.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 63.12 111.178 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -125.42 139.5 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.214 -0.448 . . . . 65.42 110.827 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.43 160.21 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.816 0.817 . . . . 53.34 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -16.68 37.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 64.24 112.424 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.4 -42.63 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.955 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.55 39.21 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 72.43 112.447 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 74.44 110.946 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 75.14 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.08 175.94 6.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 62.23 111.09 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -160.42 136.27 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 61.23 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 m-90 58.36 73.61 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 71.1 110.968 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.705 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.86 140.49 42.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 60.32 112.397 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 7' ' ' PRO . 28.4 mm -130.33 138.75 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.1 m -109.16 129.15 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 40.34 110.721 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -107.39 160.56 26.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 73.31 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -21.76 32.97 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.735 2.29 . . . . 63.03 112.41 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -77.08 -45.3 27.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.855 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.08 52.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 43.23 112.535 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 71.52 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.878 0.37 . . . . 52.41 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 p -104.78 160.48 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.34 111.142 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -146.01 125.68 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.411 ' N ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.411 ' HC1' ' N ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 59.03 71.92 0.89 Allowed Pre-proline 0 C--N 1.327 -0.412 0 CA-C-O 121.49 0.662 . . . . 65.44 110.879 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 72.42 112.334 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.03 171.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -132.28 131.51 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 62.33 110.904 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -92.58 160.37 34.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.699 0.762 . . . . 60.33 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -31.58 20.16 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.667 2.245 . . . . 63.01 112.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.25 -26.78 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 75.05 110.85 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.84 75.1 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.806 -0.711 . . . . 73.22 112.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.01 110.913 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.977 0.418 . . . . 71.02 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -94.86 149.84 20.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.216 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -135.27 124.18 24.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.486 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.486 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 57.48 73.52 0.76 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 74.42 110.929 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.634 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.1 Cg_endo -69.81 112.54 3.11 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.219 . . . . 71.42 112.367 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.634 HD13 ' O ' ' A' ' 7' ' ' PRO . 31.5 mm -128.97 136.13 60.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 63.54 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.45 149.5 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 44.11 110.889 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.99 160.28 32.93 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 74.44 110.913 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -32.3 18.97 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.761 2.307 . . . . 73.13 112.394 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -48.81 59.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 62.14 110.913 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.11 65.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.634 -0.793 . . . . 64.13 112.4 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 72.41 110.884 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.909 0.385 . . . . 61.23 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 143.98 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 43.41 111.156 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -132.46 118.55 19.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 64.44 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.485 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.485 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 55.42 72.52 1.03 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.519 0.676 . . . . 64.21 111.025 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 125.3 12.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.546 2.164 . . . . 75.11 112.367 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -148.29 133.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.11 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 m -89.99 128.73 36.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -98.16 160.24 28.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.794 0.807 . . . . 73.31 110.771 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.06 32.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 70.34 112.354 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -74.33 -25.6 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 65.23 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.81 34.94 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 33.03 112.48 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 75.23 110.79 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.931 0.396 . . . . 73.25 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.55 150.07 22.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 71.52 111.1 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -150.82 122.49 8.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 72.34 110.86 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.512 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.512 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.48 ' NE1' HD13 ' A' ' 8' ' ' ILE . 1.8 t90 -176.08 73.58 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 65.51 110.857 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.812 2.342 . . . . 40.31 112.208 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.48 HD13 ' NE1' ' A' ' 6' ' ' TRP . 40.0 pt -150.09 163.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 71.32 111.152 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.04 139.24 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 45.24 110.848 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.8 160.34 28.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 71.31 110.824 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.27 11.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 73.51 112.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.73 -26.41 45.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.915 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.2 21.9 6.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 73.13 112.426 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.356 . . . . 73.01 110.851 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.905 0.383 . . . . 74.45 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.93 179.55 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 64.42 111.105 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -172.76 119.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 72.21 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.521 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.521 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.34 75.12 0.72 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.642 0.734 . . . . 73.21 110.938 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 77.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 34.32 112.309 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -150.07 151.18 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 74.43 111.109 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.8 t -125.5 140.02 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.97 160.3 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.665 0.745 . . . . 63.55 110.88 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.84 -29.42 23.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 70.41 112.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -62.92 -42.84 99.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.965 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.63 -34.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 52.12 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.847 0.356 . . . . 71.43 110.828 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.907 0.384 . . . . 65.12 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -89.92 149.81 22.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.493 . . . . 72.44 111.075 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.98 129.64 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 72.21 110.904 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.446 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.446 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 61.1 74.47 0.52 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.703 . . . . 74.25 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 130.42 19.32 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 72.03 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 tt -129.88 132.2 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.35 111.116 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.39 120.56 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.867 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.59 160.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 63.13 110.938 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -13.91 35.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 72.12 112.455 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.07 -29.2 60.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.943 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.65 -42.46 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 61.13 112.448 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 70.15 111.017 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.053 0.454 . . . . 71.23 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 7' ' ' PRO . 7.0 t -121.11 -171.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 70.01 111.243 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -166.16 144.55 5.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 54.41 110.841 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.467 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.467 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 51.72 65.15 6.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.603 0.716 . . . . 75.42 110.879 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.644 ' HB3' HG23 ' A' ' 2' ' ' THR . 53.1 Cg_endo -69.72 -177.81 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.757 2.305 . . . . 75.43 112.239 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.08 174.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.089 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.53 128.52 33.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 65.42 111.027 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -90.24 160.4 39.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.671 0.748 . . . . 74.13 110.869 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -35.74 12.25 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.273 . . . . 75.35 112.41 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.99 -25.41 66.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 55.44 110.877 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.0 63.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 70.22 112.538 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 73.4 110.894 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.037 0.446 . . . . 54.43 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 p -99.63 164.28 12.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.483 . . . . 51.2 111.134 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -151.59 120.27 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 58.63 70.21 1.24 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.545 0.688 . . . . 73.33 110.926 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 114.03 3.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 71.14 112.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.51 144.59 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 75.25 111.136 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.44 ' N ' HD13 ' A' ' 8' ' ' ILE . 2.5 m -114.55 122.42 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 50.44 110.921 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -96.76 160.37 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.627 0.727 . . . . 74.01 110.882 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.11 36.95 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 52.12 112.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -68.59 -41.33 79.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.823 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.29 -20.92 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 63.15 112.367 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 72.31 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 73.53 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.21 142.84 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 65.45 111.172 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -124.78 103.8 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 73.43 110.909 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.443 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.443 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 50.79 73.46 0.98 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 73.03 110.893 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.725 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.86 90.31 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.6 2.2 . . . . 71.13 112.322 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 7' ' ' PRO . 24.2 mm -129.4 135.32 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 75.43 111.147 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.6 m -103.22 145.85 29.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 64.31 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.7 160.19 28.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.619 0.723 . . . . 74.21 110.963 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.79 37.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 75.54 112.365 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -75.29 -36.21 61.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.863 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.88 40.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.76 -0.733 . . . . 72.22 112.557 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 73.32 110.898 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.966 0.412 . . . . 64.43 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 174.96 7.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 65.13 111.051 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -173.58 110.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.505 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.505 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -112.94 76.1 2.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.493 0.663 . . . . 71.13 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 129.76 18.11 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 75.1 112.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.89 149.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 62.23 111.156 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -119.25 122.79 42.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 40.31 110.849 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -100.18 160.39 27.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.706 0.765 . . . . 74.23 110.833 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.45 37.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.627 2.218 . . . . 64.01 112.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.74 -65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.888 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.08 53.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 65.23 110.888 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.909 0.385 . . . . 72.1 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.66 -179.26 5.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 75.12 111.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -106.03 -170.95 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 73.21 110.817 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.402 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.402 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -179.63 60.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.519 0.676 . . . . 75.3 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -168.78 0.29 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.743 2.295 . . . . 61.24 112.323 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.18 161.61 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.33 138.27 52.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 62.05 110.927 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.06 160.29 32.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 73.14 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.75 35.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 72.41 112.37 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.57 -53.88 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.42 43.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 33.12 112.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 64.33 110.832 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 30.32 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -90.0 -170.78 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 73.22 111.046 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -158.43 107.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.415 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.459 ' C ' ' CG ' ' A' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.459 ' CG ' ' C ' ' A' ' 5' ' ' MMO . 12.5 p90 36.27 76.56 0.44 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.623 0.725 . . . . 74.43 110.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 103.28 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 72.05 112.366 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -148.02 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.43 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -122.19 164.18 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 40.44 110.83 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -106.04 160.52 25.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 70.2 110.754 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -16.41 37.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.597 2.198 . . . . 75.31 112.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.56 -36.61 12.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.895 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.39 49.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.479 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 71.21 110.854 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 72.44 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -99.69 151.58 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 65.32 111.2 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -81.69 -169.21 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.418 . . . . 65.14 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.541 ' HC2' HCG1 ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -138.67 82.75 20.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.47 0.653 . . . . 74.41 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.38 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 71.13 112.309 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.6 pp -145.71 137.76 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.11 111.104 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.72 146.19 35.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 53.11 110.899 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -89.94 160.65 40.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 72.53 110.93 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.92 -8.49 23.72 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.758 2.305 . . . . 72.42 112.227 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.7 -32.18 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 73.2 110.913 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.45 81.32 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 60.42 112.452 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 73.11 110.841 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 51.15 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.35 165.86 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 65.42 111.112 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -101.04 -174.7 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 65.21 110.974 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -149.5 78.91 8.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.458 0.647 . . . . 64.12 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.523 2.148 . . . . 63.54 112.284 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -135.02 135.88 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.031 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.7 m -112.62 139.71 47.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.21 110.913 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -93.83 161.21 30.79 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.584 0.707 . . . . 62.24 110.926 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.258 . . . . 62.44 112.296 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.1 -41.01 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.24 110.998 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.54 67.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 70.41 112.633 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.833 0.349 . . . . 53.32 110.958 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 62.15 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 8' ' ' ILE . 7.6 t -89.62 -171.84 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.12 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -164.68 114.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.954 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.474 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.474 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 49.99 78.51 0.4 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.476 0.655 . . . . 72.45 110.82 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.612 ' C ' HD13 ' A' ' 8' ' ' ILE . 54.5 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 52.01 112.315 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.612 HD13 ' C ' ' A' ' 7' ' ' PRO . 7.4 mm -118.62 137.0 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.52 111.147 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.7 t -122.74 129.25 51.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 44.33 110.79 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.13 160.29 41.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.701 0.762 . . . . 63.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -24.57 29.78 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.712 2.275 . . . . 74.12 112.396 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.41 -29.05 67.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 73.4 110.945 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.0 32.52 0.85 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.707 -0.759 . . . . 63.14 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.747 0.308 . . . . 72.44 110.857 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 73.2 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -93.86 -171.51 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 75.41 111.099 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -113.64 -168.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.856 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.557 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.557 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -138.96 85.11 16.46 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.595 0.712 . . . . 74.41 110.914 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 98.25 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 72.41 112.445 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.65 138.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.133 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.41 149.36 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 44.54 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -89.96 160.62 40.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 74.23 110.784 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.682 2.254 . . . . 63.23 112.382 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.99 -25.34 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.809 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.86 71.78 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 43.21 112.483 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 72.43 110.904 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.852 0.358 . . . . 75.02 110.799 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.91 176.24 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.51 111.111 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.415 ' HB3' ' H2 ' ' A' ' 4' ' ' DPN . 2.2 t-80 -146.97 -56.61 0.26 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 63.21 110.841 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DPN . . . . . 0.415 ' H2 ' ' HB3' ' A' ' 3' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.441 ' C ' ' CG ' ' A' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.441 ' CG ' ' C ' ' A' ' 5' ' ' MMO . 19.0 p90 36.73 65.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 75.23 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 109.5 2.35 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.585 2.19 . . . . 73.1 112.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -142.96 169.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.124 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -135.31 139.16 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.46 160.3 51.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 53.3 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.86 -14.68 36.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 72.23 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.3 -44.09 26.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 72.42 110.889 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.9 -24.81 1.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 73.51 112.609 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 61.53 110.874 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.884 0.373 . . . . 51.41 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 p -89.71 165.01 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.074 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -96.87 -168.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 65.35 110.891 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MMO . . . . . 0.738 ' HC3' ' CD2' ' A' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.738 ' CD2' ' HC3' ' A' ' 5' ' ' MMO . 2.7 p90 -162.2 67.13 1.99 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 121.521 0.677 . . . . 74.21 111.015 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.33 2.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.631 2.221 . . . . 73.13 112.315 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.33 137.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 60.24 111.149 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -100.74 124.69 46.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 53.51 110.806 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.94 160.68 40.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.709 0.766 . . . . 74.34 110.891 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.38 23.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 72.53 112.319 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -90.16 -33.8 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 71.43 110.872 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.95 82.43 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.688 -0.768 . . . . 61.5 112.5 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 65.22 110.755 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.905 0.383 . . . . 63.32 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 p -98.09 155.43 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.6 m80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.844 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.645 0.736 . . . . 72.5 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 120.19 7.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 50.41 112.436 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 pt -139.06 163.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 63.12 111.178 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -125.42 139.5 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.214 -0.448 . . . . 65.42 110.827 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.43 160.21 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.816 0.817 . . . . 53.34 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -16.68 37.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 64.24 112.424 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.4 -42.63 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.955 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.55 39.21 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 72.43 112.447 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 74.44 110.946 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 75.14 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.08 175.94 6.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 62.23 111.09 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 61.23 110.912 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 m-90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.6 0.714 . . . . 71.1 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.705 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.86 140.49 42.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 60.32 112.397 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 7' ' ' PRO . 28.4 mm -130.33 138.75 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.1 m -109.16 129.15 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 40.34 110.721 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -107.39 160.56 26.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 73.31 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -21.76 32.97 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.735 2.29 . . . . 63.03 112.41 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -77.08 -45.3 27.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.855 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.08 52.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 43.23 112.535 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 71.52 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.878 0.37 . . . . 52.41 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 p -104.78 160.48 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.34 111.142 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.876 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.49 0.662 . . . . 65.44 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 72.42 112.334 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.03 171.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -132.28 131.51 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 62.33 110.904 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -92.58 160.37 34.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.699 0.762 . . . . 60.33 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -31.58 20.16 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.667 2.245 . . . . 63.01 112.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.25 -26.78 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 75.05 110.85 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.84 75.1 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.806 -0.711 . . . . 73.22 112.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.01 110.913 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.977 0.418 . . . . 71.02 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -94.86 149.84 20.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.216 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.3 m170 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.597 0.713 . . . . 74.42 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.634 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.1 Cg_endo -69.81 112.54 3.11 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.219 . . . . 71.42 112.367 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.634 HD13 ' O ' ' A' ' 7' ' ' PRO . 31.5 mm -128.97 136.13 60.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 63.54 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.45 149.5 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 44.11 110.889 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.99 160.28 32.93 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 74.44 110.913 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -32.3 18.97 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.761 2.307 . . . . 73.13 112.394 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -48.81 59.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 62.14 110.913 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.11 65.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.634 -0.793 . . . . 64.13 112.4 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 72.41 110.884 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.909 0.385 . . . . 61.23 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 143.98 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 43.41 111.156 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 64.44 110.861 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 121.519 0.676 . . . . 64.21 111.025 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 125.3 12.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.546 2.164 . . . . 75.11 112.367 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -148.29 133.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.11 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 m -89.99 128.73 36.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -98.16 160.24 28.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.794 0.807 . . . . 73.31 110.771 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.06 32.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 70.34 112.354 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -74.33 -25.6 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 65.23 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.81 34.94 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 33.03 112.48 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 75.23 110.79 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.931 0.396 . . . . 73.25 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.55 150.07 22.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 71.52 111.1 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 m80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 72.34 110.86 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.48 ' NE1' HD13 ' A' ' 8' ' ' ILE . 1.8 t90 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.594 0.711 . . . . 65.51 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.812 2.342 . . . . 40.31 112.208 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.48 HD13 ' NE1' ' A' ' 6' ' ' TRP . 40.0 pt -150.09 163.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 71.32 111.152 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.04 139.24 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 45.24 110.848 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.8 160.34 28.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 71.31 110.824 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.27 11.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 73.51 112.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.73 -26.41 45.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.915 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.2 21.9 6.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 73.13 112.426 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.356 . . . . 73.01 110.851 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.905 0.383 . . . . 74.45 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.93 179.55 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 64.42 111.105 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 72.21 110.864 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.642 0.734 . . . . 73.21 110.938 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 77.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 34.32 112.309 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -150.07 151.18 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 74.43 111.109 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.8 t -125.5 140.02 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.97 160.3 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.665 0.745 . . . . 63.55 110.88 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.84 -29.42 23.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 70.41 112.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -62.92 -42.84 99.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.965 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.63 -34.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 52.12 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.847 0.356 . . . . 71.43 110.828 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.907 0.384 . . . . 65.12 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -89.92 149.81 22.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.493 . . . . 72.44 111.075 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 72.21 110.904 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.575 0.703 . . . . 74.25 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 130.42 19.32 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 72.03 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 tt -129.88 132.2 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.35 111.116 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.39 120.56 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.867 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.59 160.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 63.13 110.938 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -13.91 35.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 72.12 112.455 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.07 -29.2 60.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.943 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.65 -42.46 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 61.13 112.448 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 70.15 111.017 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.053 0.454 . . . . 71.23 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 7' ' ' PRO . 7.0 t -121.11 -171.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 70.01 111.243 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 54.41 110.841 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.603 0.716 . . . . 75.42 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.644 ' HB3' HG23 ' A' ' 2' ' ' THR . 53.1 Cg_endo -69.72 -177.81 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.757 2.305 . . . . 75.43 112.239 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.08 174.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.089 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.53 128.52 33.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 65.42 111.027 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -90.24 160.4 39.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.671 0.748 . . . . 74.13 110.869 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -35.74 12.25 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.273 . . . . 75.35 112.41 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.99 -25.41 66.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 55.44 110.877 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.0 63.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 70.22 112.538 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 73.4 110.894 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.037 0.446 . . . . 54.43 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 p -99.63 164.28 12.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.483 . . . . 51.2 111.134 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.4 m80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.881 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.545 0.688 . . . . 73.33 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 114.03 3.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 71.14 112.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.51 144.59 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 75.25 111.136 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.44 ' N ' HD13 ' A' ' 8' ' ' ILE . 2.5 m -114.55 122.42 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 50.44 110.921 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -96.76 160.37 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.627 0.727 . . . . 74.01 110.882 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.11 36.95 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 52.12 112.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -68.59 -41.33 79.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.823 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.29 -20.92 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 63.15 112.367 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 72.31 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 73.53 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.21 142.84 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 65.45 111.172 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 73.43 110.909 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 121.57 0.7 . . . . 73.03 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.725 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.86 90.31 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.6 2.2 . . . . 71.13 112.322 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 7' ' ' PRO . 24.2 mm -129.4 135.32 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 75.43 111.147 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.6 m -103.22 145.85 29.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 64.31 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.7 160.19 28.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.619 0.723 . . . . 74.21 110.963 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.79 37.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 75.54 112.365 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -75.29 -36.21 61.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.863 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.88 40.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.76 -0.733 . . . . 72.22 112.557 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 73.32 110.898 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.966 0.412 . . . . 64.43 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 174.96 7.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 65.13 111.051 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.899 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.493 0.663 . . . . 71.13 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 129.76 18.11 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 75.1 112.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.89 149.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 62.23 111.156 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -119.25 122.79 42.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 40.31 110.849 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -100.18 160.39 27.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.706 0.765 . . . . 74.23 110.833 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.45 37.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.627 2.218 . . . . 64.01 112.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.74 -65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.888 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.08 53.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 65.23 110.888 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.909 0.385 . . . . 72.1 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.66 -179.26 5.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 75.12 111.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 73.21 110.817 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.519 0.676 . . . . 75.3 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -168.78 0.29 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.743 2.295 . . . . 61.24 112.323 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.18 161.61 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.33 138.27 52.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 62.05 110.927 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.06 160.29 32.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 73.14 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.75 35.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 72.41 112.37 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.57 -53.88 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.42 43.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 33.12 112.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 64.33 110.832 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 30.32 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -90.0 -170.78 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 73.22 111.046 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.862 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.5 p90 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.623 0.725 . . . . 74.43 110.931 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 103.28 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 72.05 112.366 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -148.02 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.43 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -122.19 164.18 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 40.44 110.83 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -106.04 160.52 25.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 70.2 110.754 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -16.41 37.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.597 2.198 . . . . 75.31 112.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.56 -36.61 12.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.895 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.39 49.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.479 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 71.21 110.854 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 72.44 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -99.69 151.58 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 65.32 111.2 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.418 . . . . 65.14 110.857 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.47 0.653 . . . . 74.41 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.38 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 71.13 112.309 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.6 pp -145.71 137.76 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.11 111.104 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.72 146.19 35.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 53.11 110.899 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -89.94 160.65 40.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 72.53 110.93 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.92 -8.49 23.72 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.758 2.305 . . . . 72.42 112.227 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.7 -32.18 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 73.2 110.913 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.45 81.32 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 60.42 112.452 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 73.11 110.841 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 51.15 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.35 165.86 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 65.42 111.112 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 65.21 110.974 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.458 0.647 . . . . 64.12 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.523 2.148 . . . . 63.54 112.284 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -135.02 135.88 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.031 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.7 m -112.62 139.71 47.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.21 110.913 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -93.83 161.21 30.79 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.584 0.707 . . . . 62.24 110.926 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.258 . . . . 62.44 112.296 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.1 -41.01 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.24 110.998 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.54 67.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 70.41 112.633 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.833 0.349 . . . . 53.32 110.958 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 62.15 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 8' ' ' ILE . 7.6 t -89.62 -171.84 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.12 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.954 179.862 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.476 0.655 . . . . 72.45 110.82 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.612 ' C ' HD13 ' A' ' 8' ' ' ILE . 54.5 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 52.01 112.315 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.612 HD13 ' C ' ' A' ' 7' ' ' PRO . 7.4 mm -118.62 137.0 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.52 111.147 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.7 t -122.74 129.25 51.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 44.33 110.79 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.13 160.29 41.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.701 0.762 . . . . 63.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -24.57 29.78 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.712 2.275 . . . . 74.12 112.396 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.41 -29.05 67.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 73.4 110.945 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.0 32.52 0.85 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.707 -0.759 . . . . 63.14 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.747 0.308 . . . . 72.44 110.857 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 73.2 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -93.86 -171.51 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 75.41 111.099 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 p80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.856 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.595 0.712 . . . . 74.41 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 98.25 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 72.41 112.445 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.65 138.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.133 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.41 149.36 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 44.54 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -89.96 160.62 40.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 74.23 110.784 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.682 2.254 . . . . 63.23 112.382 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.99 -25.34 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.809 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.86 71.78 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 43.21 112.483 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 72.43 110.904 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.852 0.358 . . . . 75.02 110.799 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.91 176.24 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.51 111.111 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 63.21 110.841 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.549 0.69 . . . . 75.23 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 109.5 2.35 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.585 2.19 . . . . 73.1 112.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -142.96 169.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.124 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -135.31 139.16 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.46 160.3 51.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 53.3 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.86 -14.68 36.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 72.23 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.3 -44.09 26.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 72.42 110.889 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.9 -24.81 1.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 73.51 112.609 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 61.53 110.874 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.884 0.373 . . . . 51.41 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 p -89.71 165.01 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.074 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 65.35 110.891 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.521 0.677 . . . . 74.21 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.33 2.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.631 2.221 . . . . 73.13 112.315 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.33 137.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 60.24 111.149 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -100.74 124.69 46.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 53.51 110.806 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.94 160.68 40.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.709 0.766 . . . . 74.34 110.891 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.38 23.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 72.53 112.319 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -90.16 -33.8 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 71.43 110.872 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.95 82.43 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.688 -0.768 . . . . 61.5 112.5 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 65.22 110.755 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 55.2 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.905 0.383 . . . . 63.32 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 p -98.09 155.43 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -144.12 119.76 10.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.844 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.41 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.41 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 56.97 68.99 1.84 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.645 0.736 . . . . 72.5 110.985 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 120.19 7.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 50.41 112.436 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.7 pt -139.06 163.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 63.12 111.178 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -125.42 139.5 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.214 -0.448 . . . . 65.42 110.827 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.43 160.21 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.816 0.817 . . . . 53.34 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -16.68 37.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 64.24 112.424 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.4 -42.63 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.955 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.55 39.21 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 72.43 112.447 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 74.44 110.946 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 75.14 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.08 175.94 6.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 62.23 111.09 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -160.42 136.27 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 61.23 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 m-90 58.36 73.61 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 71.1 110.968 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.705 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.86 140.49 42.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 60.32 112.397 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 7' ' ' PRO . 28.4 mm -130.33 138.75 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.1 m -109.16 129.15 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 40.34 110.721 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -107.39 160.56 26.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.599 0.714 . . . . 73.31 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -21.76 32.97 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.735 2.29 . . . . 63.03 112.41 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -77.08 -45.3 27.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.855 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.08 52.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 43.23 112.535 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 71.52 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.878 0.37 . . . . 52.41 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 p -104.78 160.48 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 74.34 111.142 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -146.01 125.68 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.411 ' N ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.411 ' HC1' ' N ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 59.03 71.92 0.89 Allowed Pre-proline 0 C--N 1.327 -0.412 0 CA-C-O 121.49 0.662 . . . . 65.44 110.879 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 72.42 112.334 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.03 171.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -132.28 131.51 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 62.33 110.904 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -92.58 160.37 34.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.699 0.762 . . . . 60.33 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -31.58 20.16 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.667 2.245 . . . . 63.01 112.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.25 -26.78 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 75.05 110.85 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.84 75.1 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.806 -0.711 . . . . 73.22 112.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.01 110.913 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.977 0.418 . . . . 71.02 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -94.86 149.84 20.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.216 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -135.27 124.18 24.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.486 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.486 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 57.48 73.52 0.76 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 74.42 110.929 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.634 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.1 Cg_endo -69.81 112.54 3.11 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.219 . . . . 71.42 112.367 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.634 HD13 ' O ' ' A' ' 7' ' ' PRO . 31.5 mm -128.97 136.13 60.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 63.54 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.45 149.5 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 44.11 110.889 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.99 160.28 32.93 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 74.44 110.913 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -32.3 18.97 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.761 2.307 . . . . 73.13 112.394 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -48.81 59.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 62.14 110.913 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.11 65.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.634 -0.793 . . . . 64.13 112.4 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 72.41 110.884 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.909 0.385 . . . . 61.23 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 143.98 25.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 43.41 111.156 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -132.46 118.55 19.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 64.44 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.485 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.485 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 55.42 72.52 1.03 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.519 0.676 . . . . 64.21 111.025 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 125.3 12.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.546 2.164 . . . . 75.11 112.367 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 tp -148.29 133.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.11 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 m -89.99 128.73 36.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -98.16 160.24 28.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.794 0.807 . . . . 73.31 110.771 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.06 32.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 70.34 112.354 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -74.33 -25.6 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 65.23 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.81 34.94 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 33.03 112.48 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 75.23 110.79 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.931 0.396 . . . . 73.25 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.55 150.07 22.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 71.52 111.1 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -150.82 122.49 8.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 72.34 110.86 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.512 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.512 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.48 ' NE1' HD13 ' A' ' 8' ' ' ILE . 1.8 t90 -176.08 73.58 0.26 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 65.51 110.857 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.812 2.342 . . . . 40.31 112.208 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.48 HD13 ' NE1' ' A' ' 6' ' ' TRP . 40.0 pt -150.09 163.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 71.32 111.152 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.04 139.24 44.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 45.24 110.848 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.8 160.34 28.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 71.31 110.824 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.27 11.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 73.51 112.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.73 -26.41 45.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.915 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.2 21.9 6.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 73.13 112.426 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.356 . . . . 73.01 110.851 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.905 0.383 . . . . 74.45 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.93 179.55 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 64.42 111.105 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -172.76 119.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 72.21 110.864 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.521 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.521 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.34 75.12 0.72 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.642 0.734 . . . . 73.21 110.938 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 77.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 34.32 112.309 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -150.07 151.18 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 74.43 111.109 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.8 t -125.5 140.02 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.97 160.3 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.665 0.745 . . . . 63.55 110.88 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.84 -29.42 23.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 70.41 112.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -62.92 -42.84 99.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.965 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.63 -34.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 52.12 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.847 0.356 . . . . 71.43 110.828 -179.812 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.907 0.384 . . . . 65.12 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -89.92 149.81 22.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.493 . . . . 72.44 111.075 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.98 129.64 22.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 72.21 110.904 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.446 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.446 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 61.1 74.47 0.52 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.575 0.703 . . . . 74.25 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 130.42 19.32 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 72.03 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 tt -129.88 132.2 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.35 111.116 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.39 120.56 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.867 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.59 160.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 63.13 110.938 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -13.91 35.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 72.12 112.455 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -75.07 -29.2 60.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.943 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.65 -42.46 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 61.13 112.448 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 70.15 111.017 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.053 0.454 . . . . 71.23 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 7' ' ' PRO . 7.0 t -121.11 -171.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 70.01 111.243 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -166.16 144.55 5.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 54.41 110.841 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.467 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.467 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 51.72 65.15 6.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.603 0.716 . . . . 75.42 110.879 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.644 ' HB3' HG23 ' A' ' 2' ' ' THR . 53.1 Cg_endo -69.72 -177.81 2.04 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.757 2.305 . . . . 75.43 112.239 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.08 174.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.089 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.53 128.52 33.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 65.42 111.027 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -90.24 160.4 39.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.671 0.748 . . . . 74.13 110.869 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -35.74 12.25 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.273 . . . . 75.35 112.41 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.99 -25.41 66.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 55.44 110.877 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.0 63.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 70.22 112.538 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 73.4 110.894 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.037 0.446 . . . . 54.43 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 p -99.63 164.28 12.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.483 . . . . 51.2 111.134 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -151.59 120.27 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 58.63 70.21 1.24 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.545 0.688 . . . . 73.33 110.926 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 114.03 3.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 71.14 112.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.51 144.59 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 75.25 111.136 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.44 ' N ' HD13 ' A' ' 8' ' ' ILE . 2.5 m -114.55 122.42 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 50.44 110.921 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -96.76 160.37 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.627 0.727 . . . . 74.01 110.882 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.11 36.95 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 52.12 112.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -68.59 -41.33 79.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.823 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.29 -20.92 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 63.15 112.367 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 72.31 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.835 0.35 . . . . 73.53 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.21 142.84 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 65.45 111.172 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -124.78 103.8 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 73.43 110.909 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.443 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.443 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 50.79 73.46 0.98 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 73.03 110.893 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.725 ' O ' HD13 ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.86 90.31 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.6 2.2 . . . . 71.13 112.322 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 7' ' ' PRO . 24.2 mm -129.4 135.32 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 75.43 111.147 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.6 m -103.22 145.85 29.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 64.31 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -109.7 160.19 28.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.619 0.723 . . . . 74.21 110.963 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -16.79 37.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 75.54 112.365 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -75.29 -36.21 61.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.863 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.88 40.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.76 -0.733 . . . . 72.22 112.557 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 73.32 110.898 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.966 0.412 . . . . 64.43 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 174.96 7.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 65.13 111.051 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -173.58 110.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.505 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.505 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -112.94 76.1 2.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.493 0.663 . . . . 71.13 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 129.76 18.11 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 75.1 112.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.89 149.74 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 62.23 111.156 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -119.25 122.79 42.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 40.31 110.849 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -100.18 160.39 27.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.706 0.765 . . . . 74.23 110.833 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.45 37.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.627 2.218 . . . . 64.01 112.352 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.74 -65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.888 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.08 53.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 65.23 110.888 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.909 0.385 . . . . 72.1 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.66 -179.26 5.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 75.12 111.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -106.03 -170.95 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 73.21 110.817 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.402 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.402 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -179.63 60.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.519 0.676 . . . . 75.3 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -168.78 0.29 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.743 2.295 . . . . 61.24 112.323 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.18 161.61 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.33 138.27 52.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 62.05 110.927 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.06 160.29 32.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.632 0.73 . . . . 73.14 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.75 35.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 72.41 112.37 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.57 -53.88 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.42 43.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 33.12 112.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 64.33 110.832 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 30.32 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -90.0 -170.78 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 73.22 111.046 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -158.43 107.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.415 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.459 ' C ' ' CG ' ' A' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.459 ' CG ' ' C ' ' A' ' 5' ' ' MMO . 12.5 p90 36.27 76.56 0.44 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.623 0.725 . . . . 74.43 110.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 103.28 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 72.05 112.366 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -148.02 174.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.43 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -122.19 164.18 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 40.44 110.83 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -106.04 160.52 25.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 70.2 110.754 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -16.41 37.18 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.597 2.198 . . . . 75.31 112.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.56 -36.61 12.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.895 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.39 49.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.479 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 71.21 110.854 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 72.44 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -99.69 151.58 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 65.32 111.2 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -81.69 -169.21 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.418 . . . . 65.14 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.541 ' HC2' HCG1 ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -138.67 82.75 20.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.47 0.653 . . . . 74.41 110.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.38 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 71.13 112.309 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.6 pp -145.71 137.76 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.11 111.104 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.72 146.19 35.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 53.11 110.899 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -89.94 160.65 40.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 72.53 110.93 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.92 -8.49 23.72 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.758 2.305 . . . . 72.42 112.227 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.7 -32.18 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 73.2 110.913 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.45 81.32 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 60.42 112.452 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 73.11 110.841 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 51.15 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.35 165.86 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 65.42 111.112 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -101.04 -174.7 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 65.21 110.974 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -149.5 78.91 8.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.458 0.647 . . . . 64.12 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.523 2.148 . . . . 63.54 112.284 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -135.02 135.88 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.031 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.7 m -112.62 139.71 47.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.21 110.913 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -93.83 161.21 30.79 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.584 0.707 . . . . 62.24 110.926 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.258 . . . . 62.44 112.296 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.1 -41.01 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.24 110.998 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.54 67.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 70.41 112.633 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.833 0.349 . . . . 53.32 110.958 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.778 0.323 . . . . 62.15 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 8' ' ' ILE . 7.6 t -89.62 -171.84 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.12 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -164.68 114.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.954 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.474 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.474 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 49.99 78.51 0.4 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.476 0.655 . . . . 72.45 110.82 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.612 ' C ' HD13 ' A' ' 8' ' ' ILE . 54.5 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 52.01 112.315 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.612 HD13 ' C ' ' A' ' 7' ' ' PRO . 7.4 mm -118.62 137.0 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.52 111.147 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.7 t -122.74 129.25 51.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 44.33 110.79 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.13 160.29 41.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.701 0.762 . . . . 63.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -24.57 29.78 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.712 2.275 . . . . 74.12 112.396 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.41 -29.05 67.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 73.4 110.945 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.0 32.52 0.85 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.707 -0.759 . . . . 63.14 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.747 0.308 . . . . 72.44 110.857 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 73.2 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -93.86 -171.51 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 75.41 111.099 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -113.64 -168.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 73.25 110.856 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.557 ' HA ' ' HC1' ' A' ' 5' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.557 ' HC1' ' HA ' ' A' ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -138.96 85.11 16.46 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.595 0.712 . . . . 74.41 110.914 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 98.25 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 72.41 112.445 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.65 138.0 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.133 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 70.8 m -105.41 149.36 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 44.54 110.939 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -89.96 160.62 40.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 74.23 110.784 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.682 2.254 . . . . 63.23 112.382 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.99 -25.34 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.809 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.86 71.78 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 43.21 112.483 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 72.43 110.904 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.852 0.358 . . . . 75.02 110.799 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.91 176.24 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.51 111.111 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.415 ' HB3' ' H2 ' ' A' ' 4' ' ' DPN . 2.2 t-80 -146.97 -56.61 0.26 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 63.21 110.841 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . 0.415 ' H2 ' ' HB3' ' A' ' 3' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.441 ' C ' ' CG ' ' A' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.441 ' CG ' ' C ' ' A' ' 5' ' ' MMO . 19.0 p90 36.73 65.43 2.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 75.23 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 109.5 2.35 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.585 2.19 . . . . 73.1 112.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -142.96 169.78 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.124 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -135.31 139.16 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.46 160.3 51.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 53.3 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.86 -14.68 36.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 72.23 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.3 -44.09 26.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 72.42 110.889 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.9 -24.81 1.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 73.51 112.609 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 61.53 110.874 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.884 0.373 . . . . 51.41 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 p -89.71 165.01 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.074 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -96.87 -168.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 65.35 110.891 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MMO . . . . . 0.738 ' HC3' ' CD2' ' A' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.738 ' CD2' ' HC3' ' A' ' 5' ' ' MMO . 2.7 p90 -162.2 67.13 1.99 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 121.521 0.677 . . . . 74.21 111.015 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.33 2.28 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.631 2.221 . . . . 73.13 112.315 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.33 137.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 60.24 111.149 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -100.74 124.69 46.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 53.51 110.806 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.94 160.68 40.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.709 0.766 . . . . 74.34 110.891 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.38 23.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.724 2.283 . . . . 72.53 112.319 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -90.16 -33.8 16.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.15 -0.477 . . . . 71.43 110.872 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.95 82.43 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.688 -0.768 . . . . 61.5 112.5 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 65.22 110.755 -179.819 . . . . . . . . 1 1 . 1 stop_ save_