data_2lwu_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lwu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.832 0.348 . . . . 72.04 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 m -102.0 109.44 21.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.02 159.91 62.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 73.52 111.112 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.07 69.17 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 71.11 112.381 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -143.93 177.95 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 70.3 111.14 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -55.22 -33.62 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 p -91.83 -23.02 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 71.14 110.895 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.51 -168.28 25.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 65.11 112.461 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.44 4.09 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.681 2.254 . . . . 61.3 112.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.9 mt -117.87 138.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.131 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -96.11 103.17 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.6 140.91 35.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -95.29 24.7 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.833 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.358 . . . . 74.3 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.05 108.11 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.824 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -135.32 159.87 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 74.3 111.141 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 151.48 69.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 73.14 112.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.6 p -143.86 177.94 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.1 111.186 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -54.25 -34.28 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.31 111.107 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -92.21 -23.43 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 53.41 110.857 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.98 -168.34 26.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.473 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.628 2.219 . . . . 70.23 112.377 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mm -114.64 133.52 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.31 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.01 130.07 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.72 144.94 43.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -95.66 26.46 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.872 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.893 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 72.55 110.833 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.02 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -135.21 159.78 70.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 61.41 111.104 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.49 68.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.744 2.296 . . . . 75.14 112.322 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.6 p -143.78 177.56 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.53 111.121 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.6 p -53.81 -34.28 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 72.11 111.181 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -92.2 -23.99 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.55 110.839 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.66 -168.39 26.36 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 71.13 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.6 mt -114.77 133.52 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.25 111.149 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 130.42 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.81 144.94 43.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.005 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -95.75 26.26 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 72.52 110.837 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.845 0.355 . . . . 73.33 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.7 m -101.88 108.05 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -136.07 159.82 69.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 74.33 111.122 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 151.14 69.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.41 112.3 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 p -143.77 177.92 8.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.098 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -53.76 -34.51 59.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 65.25 111.167 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -92.19 -23.73 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.874 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.13 -168.52 26.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 71.23 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 75.03 112.332 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 tt -115.23 132.87 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 75.22 111.109 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.41 132.15 43.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 73.31 110.826 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mt -117.03 144.63 44.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -95.3 23.86 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 70.54 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.04 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 73.33 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -102.06 108.06 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.946 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.58 159.88 70.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 74.44 111.167 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.01 66.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 75.52 112.364 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -144.48 -173.8 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 74.31 111.144 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 111.164 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 p -92.42 -1.0 57.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.809 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.06 -164.89 12.72 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.659 -0.782 . . . . 73.14 112.493 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 115.43 4.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.255 . . . . 71.15 112.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.1 132.33 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 74.52 111.078 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.23 129.32 47.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.907 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.79 145.07 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 73.23 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -95.86 27.29 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.815 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.813 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.87 0.367 . . . . 72.14 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m -102.01 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.899 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.78 159.93 70.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 74.55 111.129 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 149.01 65.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 71.5 112.333 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.43 -173.8 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.179 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -62.92 -35.82 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 73.32 111.1 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 p -92.35 -1.09 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.1 110.83 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -164.78 12.73 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.834 -0.698 . . . . 65.31 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 115.35 4.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 72.14 112.355 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 mm -112.85 132.14 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.53 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.55 128.61 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.94 145.04 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -95.76 27.2 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.928 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.82 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 71.34 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -102.1 109.25 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.869 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -127.84 159.9 63.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 70.25 111.126 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.14 69.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.633 2.222 . . . . 71.31 112.315 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -143.77 177.87 8.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.131 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -55.15 -33.32 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.122 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 p -92.09 -23.39 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.83 -168.24 26.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 60.55 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 115.48 4.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.645 2.23 . . . . 74.51 112.313 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.2 mm -118.05 139.52 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.123 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 m -97.66 102.38 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.34 110.908 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.83 141.35 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.917 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -95.02 23.81 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.883 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.862 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.8 0.333 . . . . 74.03 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -102.01 108.08 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 61.43 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.82 159.85 70.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 72.13 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.07 66.87 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.34 112.394 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.49 -173.79 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 75.32 111.124 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -62.93 -35.8 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 70.12 111.09 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.7 p -92.32 -1.12 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 -164.85 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 73.32 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.59 2.193 . . . . 71.54 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.1 mm -112.86 132.16 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.59 128.65 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.918 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -115.01 145.09 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 72.15 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -95.77 27.24 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.804 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.874 0.369 . . . . 73.53 110.82 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.13 109.36 21.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -127.58 159.85 63.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 74.22 111.09 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.7 152.22 69.55 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.605 2.203 . . . . 73.21 112.363 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -144.01 177.96 8.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 75.34 111.196 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -55.08 -33.66 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.23 111.099 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.84 -23.23 19.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 74.11 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.52 -168.16 25.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 71.22 112.541 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.4 4.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 73.15 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.4 tt -117.93 139.19 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 74.1 111.09 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -97.05 103.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.845 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.82 140.93 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.925 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -95.22 24.33 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.886 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 72.01 110.82 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -102.08 111.0 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.873 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -129.3 159.85 67.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.521 0.677 . . . . 64.44 111.16 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 152.54 69.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 74.44 112.41 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.8 p -144.04 177.95 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 73.45 111.141 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -55.42 -33.23 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.04 111.204 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -92.23 -22.82 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.45 -168.0 25.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 74.35 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.38 4.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.636 2.224 . . . . 74.41 112.347 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -116.08 140.04 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.97 108.78 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.11 110.831 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.67 140.67 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 74.53 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -94.95 23.75 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.969 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.901 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.837 0.351 . . . . 74.22 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.01 108.34 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -135.07 159.91 70.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 72.41 111.11 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 148.94 66.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 73.25 112.394 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -144.31 -173.78 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 75.04 111.123 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -63.37 -35.84 81.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 73.22 111.146 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 p -92.31 -1.19 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.778 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.59 -164.52 12.96 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 73.13 112.439 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.728 2.285 . . . . 74.12 112.365 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.8 mm -111.2 130.35 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.54 111.094 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.25 124.21 48.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.885 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -112.08 144.63 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -95.56 31.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.933 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.941 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.832 0.349 . . . . 73.33 110.875 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -101.4 111.78 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.881 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.72 159.97 58.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 75.33 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.18 69.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.608 2.205 . . . . 72.12 112.364 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 p -144.07 177.4 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 70.11 111.152 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -54.67 -33.53 60.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 71.23 111.194 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.5 p -91.92 -23.82 19.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.39 -168.5 26.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 74.2 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 115.35 4.04 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.72 2.28 . . . . 70.11 112.349 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 tt -118.34 140.87 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.21 111.154 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 m -96.51 100.84 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.888 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -88.53 130.87 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.893 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -72.27 -8.82 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.859 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.886 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.804 0.335 . . . . 74.55 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.4 m -101.58 108.4 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.801 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -130.87 159.74 69.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 74.52 111.149 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.2 69.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 75.43 112.356 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -144.86 -173.86 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.134 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 p -63.4 -34.74 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 75.43 111.175 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p -92.32 -8.88 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.831 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.79 -165.56 20.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.5 112.445 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.713 2.275 . . . . 63.32 112.345 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.65 136.37 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 73.31 111.182 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.66 120.93 42.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 72.5 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.67 142.83 37.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -94.96 24.9 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 44.24 110.87 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 73.51 110.865 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 m -101.38 107.92 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 70.42 110.912 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -136.29 159.88 69.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 75.35 111.098 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.77 68.7 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.24 . . . . 70.05 112.324 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 p -143.56 177.55 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.09 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -53.36 -34.54 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.194 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -92.17 -24.22 19.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.873 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.72 -168.74 26.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 75.02 112.49 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 115.28 4.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.246 . . . . 70.14 112.403 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.6 mt -115.81 131.67 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 72.24 111.124 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.75 101.67 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.916 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.7 139.45 38.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.28 41.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.814 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 73.54 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -101.66 108.48 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 60.43 110.883 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -129.31 159.92 66.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 75.13 111.108 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 152.22 68.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 70.34 112.364 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -143.57 176.93 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.03 111.139 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -54.39 -33.18 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.43 111.101 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 p -92.15 -24.34 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.914 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.01 -168.33 26.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 70.43 112.504 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 73.14 112.396 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mm -117.63 140.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 72.45 111.144 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 m -102.46 99.85 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.87 129.84 35.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -72.18 -9.11 58.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.861 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.358 . . . . 74.12 110.823 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -101.97 115.35 30.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 54.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.78 160.18 64.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 74.22 111.094 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 150.51 68.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 72.03 112.325 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 p -143.88 178.35 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.131 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -53.34 -37.94 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.193 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -88.54 -23.44 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.05 -166.96 26.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 53.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 115.41 4.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 71.21 112.29 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.0 mt -114.39 137.37 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.43 111.19 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.75 120.04 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -105.85 142.58 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.879 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -94.63 37.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.863 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.852 0.358 . . . . 75.42 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 m -102.41 113.3 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.918 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -133.48 160.2 69.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.598 0.714 . . . . 75.32 111.142 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.17 67.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.744 2.296 . . . . 72.44 112.32 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -142.32 177.62 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 73.13 111.097 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -53.68 -33.56 55.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 71.05 111.193 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -92.29 -24.78 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.84 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.9 -168.58 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.721 . . . . 51.13 112.454 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 73.32 112.319 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.5 mt -119.25 138.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.192 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 m -95.76 99.95 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 63.12 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.28 138.29 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -94.95 35.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 72.41 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.4 m80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.796 0.332 . . . . 73.13 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 m -100.51 111.01 23.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.54 110.898 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.766 . . . . 62.33 111.119 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 152.42 69.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 62.14 112.299 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -143.99 176.98 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.21 111.195 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -33.16 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.083 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -92.19 -23.81 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 71.43 110.821 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.7 -168.61 26.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.844 -0.693 . . . . 75.52 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 115.3 4.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 71.44 112.361 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mm -117.34 138.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 73.42 111.085 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.54 102.14 13.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.876 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.4 129.05 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -77.75 -3.33 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.924 0.392 . . . . 65.43 110.801 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.5 m -101.99 108.01 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 159.91 70.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 74.5 111.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.66 68.89 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.659 2.24 . . . . 71.4 112.367 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 p -143.82 177.5 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 72.21 111.185 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -54.07 -34.06 59.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 72.1 111.145 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.25 -23.7 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.918 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.31 -168.38 26.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 60.54 112.532 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.35 4.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.226 . . . . 70.33 112.41 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 tp -115.05 134.15 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.4 111.146 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.64 131.3 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -115.54 144.79 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 70.35 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -95.74 27.09 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.915 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.86 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 72.54 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.02 107.94 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.6 159.98 70.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 74.32 111.118 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 149.23 66.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 70.2 112.3 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 p -144.39 -173.84 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 72.52 111.166 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -63.2 -35.63 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.139 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 p -92.24 -1.2 57.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.32 -164.65 12.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.814 -0.708 . . . . 63.14 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 115.43 4.09 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 64.31 112.311 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.0 mt -112.93 132.91 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.16 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.77 129.51 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.844 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.76 144.83 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.842 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 65.45 110.81 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.46 -0.256 . . . . 64.32 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.21 -168.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 72.04 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 m -102.0 109.44 21.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.02 159.91 62.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 73.52 111.112 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.07 69.17 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 71.11 112.381 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -143.93 177.95 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 70.3 111.14 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -55.22 -33.62 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 p -91.83 -23.02 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 71.14 110.895 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.51 -168.28 25.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 65.11 112.461 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.44 4.09 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.681 2.254 . . . . 61.3 112.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.9 mt -117.87 138.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.131 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -96.11 103.17 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.6 140.91 35.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -95.29 24.7 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.833 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.508 -0.237 . . . . 74.51 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.93 -167.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 74.3 110.884 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.05 108.11 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.824 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -135.32 159.87 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 74.3 111.141 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 151.48 69.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 73.14 112.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.6 p -143.86 177.94 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.1 111.186 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -54.25 -34.28 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.31 111.107 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -92.21 -23.43 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 53.41 110.857 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.98 -168.34 26.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.473 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.628 2.219 . . . . 70.23 112.377 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mm -114.64 133.52 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.31 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.01 130.07 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.72 144.94 43.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -95.66 26.46 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.872 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.893 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 74.13 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.82 -167.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 72.55 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.02 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -135.21 159.78 70.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 61.41 111.104 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.49 68.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.744 2.296 . . . . 75.14 112.322 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.6 p -143.78 177.56 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.53 111.121 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.6 p -53.81 -34.28 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 72.11 111.181 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -92.2 -23.99 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.55 110.839 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.66 -168.39 26.36 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 71.13 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.6 mt -114.77 133.52 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.25 111.149 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 130.42 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.81 144.94 43.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.005 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -95.75 26.26 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 72.52 110.837 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.445 -0.262 . . . . 73.1 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.86 -167.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 73.33 110.858 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.7 m -101.88 108.05 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -136.07 159.82 69.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 74.33 111.122 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 151.14 69.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.41 112.3 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 p -143.77 177.92 8.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.098 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -53.76 -34.51 59.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 65.25 111.167 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -92.19 -23.73 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.874 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.13 -168.52 26.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 71.23 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 75.03 112.332 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 tt -115.23 132.87 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 75.22 111.109 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.41 132.15 43.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 73.31 110.826 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mt -117.03 144.63 44.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -95.3 23.86 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 70.54 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.04 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.523 -0.231 . . . . 60.32 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.88 -168.26 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 73.33 110.924 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -102.06 108.06 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.946 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.58 159.88 70.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 74.44 111.167 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.01 66.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 75.52 112.364 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -144.48 -173.8 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 74.31 111.144 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 111.164 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 p -92.42 -1.0 57.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.809 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.06 -164.89 12.72 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.659 -0.782 . . . . 73.14 112.493 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 115.43 4.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.255 . . . . 71.15 112.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.1 132.33 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 74.52 111.078 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.23 129.32 47.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.907 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.79 145.07 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 73.23 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -95.86 27.29 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.815 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.813 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 72.44 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.91 -168.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 72.14 110.87 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m -102.01 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.899 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.78 159.93 70.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 74.55 111.129 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 149.01 65.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 71.5 112.333 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.43 -173.8 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.179 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -62.92 -35.82 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 73.32 111.1 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 p -92.35 -1.09 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.1 110.83 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -164.78 12.73 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.834 -0.698 . . . . 65.31 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 115.35 4.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 72.14 112.355 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 mm -112.85 132.14 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.53 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.55 128.61 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.94 145.04 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -95.76 27.2 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.928 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.82 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.42 -0.272 . . . . 73.23 112.42 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.25 -168.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 71.34 110.866 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -102.1 109.25 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.869 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -127.84 159.9 63.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 70.25 111.126 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.14 69.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.633 2.222 . . . . 71.31 112.315 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -143.77 177.87 8.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.131 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -55.15 -33.32 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.122 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 p -92.09 -23.39 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.83 -168.24 26.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 60.55 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 115.48 4.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.645 2.23 . . . . 74.51 112.313 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.2 mm -118.05 139.52 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.123 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 m -97.66 102.38 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.34 110.908 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.83 141.35 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.917 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -95.02 23.81 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.883 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.862 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.454 -0.258 . . . . 73.34 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.83 -168.2 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 74.03 110.949 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -102.01 108.08 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 61.43 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.82 159.85 70.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 72.13 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.07 66.87 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.34 112.394 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.49 -173.79 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 75.32 111.124 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -62.93 -35.8 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 70.12 111.09 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.7 p -92.32 -1.12 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 -164.85 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 73.32 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.59 2.193 . . . . 71.54 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.1 mm -112.86 132.16 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.59 128.65 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.918 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -115.01 145.09 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 72.15 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -95.77 27.24 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.804 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.447 -0.261 . . . . 71.44 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.28 -168.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.369 . . . . 73.53 110.82 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.13 109.36 21.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -127.58 159.85 63.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 74.22 111.09 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.7 152.22 69.55 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.605 2.203 . . . . 73.21 112.363 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -144.01 177.96 8.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 75.34 111.196 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -55.08 -33.66 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.23 111.099 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.84 -23.23 19.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 74.11 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.52 -168.16 25.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 71.22 112.541 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.4 4.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 73.15 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.4 tt -117.93 139.19 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 74.1 111.09 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -97.05 103.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.845 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.82 140.93 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.925 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -95.22 24.33 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.886 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.474 -0.25 . . . . 75.24 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 -171.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 72.01 110.82 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -102.08 111.0 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.873 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -129.3 159.85 67.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.521 0.677 . . . . 64.44 111.16 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 152.54 69.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 74.44 112.41 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.8 p -144.04 177.95 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 73.45 111.141 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -55.42 -33.23 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.04 111.204 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -92.23 -22.82 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.45 -168.0 25.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 74.35 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.38 4.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.636 2.224 . . . . 74.41 112.347 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -116.08 140.04 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.97 108.78 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.11 110.831 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.67 140.67 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 74.53 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -94.95 23.75 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.969 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.901 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.478 -0.249 . . . . 74.03 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.96 -170.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 74.22 110.867 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.01 108.34 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -135.07 159.91 70.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 72.41 111.11 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 148.94 66.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 73.25 112.394 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -144.31 -173.78 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 75.04 111.123 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -63.37 -35.84 81.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 73.22 111.146 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 p -92.31 -1.19 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.778 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.59 -164.52 12.96 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 73.13 112.439 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.728 2.285 . . . . 74.12 112.365 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.8 mm -111.2 130.35 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.54 111.094 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.25 124.21 48.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.885 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -112.08 144.63 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -95.56 31.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.933 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.941 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.527 -0.229 . . . . 73.54 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.08 -166.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 73.33 110.875 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -101.4 111.78 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.881 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.72 159.97 58.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 75.33 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.18 69.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.608 2.205 . . . . 72.12 112.364 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 p -144.07 177.4 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 70.11 111.152 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -54.67 -33.53 60.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 71.23 111.194 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.5 p -91.92 -23.82 19.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.39 -168.5 26.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 74.2 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 115.35 4.04 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.72 2.28 . . . . 70.11 112.349 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 tt -118.34 140.87 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.21 111.154 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 m -96.51 100.84 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.888 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -88.53 130.87 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.893 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -72.27 -8.82 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.859 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.886 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.55 -0.22 . . . . 60.13 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -149.17 -166.53 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 74.55 110.842 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.4 m -101.58 108.4 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.801 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -130.87 159.74 69.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 74.52 111.149 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.2 69.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 75.43 112.356 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -144.86 -173.86 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.134 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 p -63.4 -34.74 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 75.43 111.175 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p -92.32 -8.88 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.831 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.79 -165.56 20.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.5 112.445 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.713 2.275 . . . . 63.32 112.345 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.5 mt -111.65 136.37 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 73.31 111.182 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.66 120.93 42.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 72.5 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.67 142.83 37.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -94.96 24.9 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 44.24 110.87 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.541 -0.224 . . . . 64.12 112.541 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.04 -166.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 73.51 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 m -101.38 107.92 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 70.42 110.912 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -136.29 159.88 69.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 75.35 111.098 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.77 68.7 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.24 . . . . 70.05 112.324 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 p -143.56 177.55 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.09 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -53.36 -34.54 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.194 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -92.17 -24.22 19.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.873 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.72 -168.74 26.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 75.02 112.49 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 115.28 4.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.246 . . . . 70.14 112.403 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.6 mt -115.81 131.67 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 72.24 111.124 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.75 101.67 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.916 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.7 139.45 38.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.28 41.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.814 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.555 -0.218 . . . . 64.42 112.555 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -167.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 73.54 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -101.66 108.48 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 60.43 110.883 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -129.31 159.92 66.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 75.13 111.108 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 152.22 68.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 70.34 112.364 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -143.57 176.93 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.03 111.139 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -54.39 -33.18 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.43 111.101 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 p -92.15 -24.34 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.914 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.01 -168.33 26.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 70.43 112.504 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 73.14 112.396 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mm -117.63 140.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 72.45 111.144 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 m -102.46 99.85 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.87 129.84 35.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -72.18 -9.11 58.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.861 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.54 -0.224 . . . . 45.41 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 -169.12 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 74.12 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -101.97 115.35 30.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 54.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.78 160.18 64.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 74.22 111.094 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 150.51 68.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 72.03 112.325 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 p -143.88 178.35 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.131 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -53.34 -37.94 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.193 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -88.54 -23.44 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.05 -166.96 26.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 53.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 115.41 4.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 71.21 112.29 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.0 mt -114.39 137.37 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.43 111.19 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.75 120.04 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -105.85 142.58 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.879 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -94.63 37.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.863 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 65.31 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.48 -170.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 75.42 110.841 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 m -102.41 113.3 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.918 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -133.48 160.2 69.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.598 0.714 . . . . 75.32 111.142 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.17 67.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.744 2.296 . . . . 72.44 112.32 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -142.32 177.62 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 73.13 111.097 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -53.68 -33.56 55.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 71.05 111.193 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -92.29 -24.78 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.84 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.9 -168.58 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.721 . . . . 51.13 112.454 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 73.32 112.319 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.5 mt -119.25 138.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.192 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 m -95.76 99.95 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 63.12 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.28 138.29 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -94.95 35.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 72.41 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.525 -0.23 . . . . 73.31 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -147.39 -163.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 73.13 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 m -100.51 111.01 23.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.54 110.898 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.766 . . . . 62.33 111.119 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 152.42 69.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 62.14 112.299 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -143.99 176.98 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.21 111.195 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -33.16 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.083 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -92.19 -23.81 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 71.43 110.821 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.7 -168.61 26.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.844 -0.693 . . . . 75.52 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 115.3 4.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 71.44 112.361 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mm -117.34 138.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 73.42 111.085 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.54 102.14 13.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.876 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.4 129.05 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -77.75 -3.33 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.482 -0.247 . . . . 63.21 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.87 -167.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 65.43 110.801 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.5 m -101.99 108.01 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 159.91 70.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 74.5 111.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.66 68.89 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.659 2.24 . . . . 71.4 112.367 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 p -143.82 177.5 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 72.21 111.185 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -54.07 -34.06 59.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 72.1 111.145 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.25 -23.7 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.918 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.31 -168.38 26.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 60.54 112.532 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.35 4.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.226 . . . . 70.33 112.41 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 tp -115.05 134.15 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.4 111.146 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.64 131.3 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -115.54 144.79 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 70.35 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -95.74 27.09 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.915 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.86 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.478 -0.249 . . . . 55.45 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.88 -168.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 72.54 110.891 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.02 107.94 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.6 159.98 70.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 74.32 111.118 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 149.23 66.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 70.2 112.3 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 p -144.39 -173.84 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 72.52 111.166 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -63.2 -35.63 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.139 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 p -92.24 -1.2 57.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.32 -164.65 12.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.814 -0.708 . . . . 63.14 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 115.43 4.09 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 64.31 112.311 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.0 mt -112.93 132.91 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.16 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.77 129.51 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.844 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.76 144.83 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.842 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 65.45 110.81 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.832 0.348 . . . . 64.3 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 m -102.0 109.44 21.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.02 159.91 62.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 73.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.07 69.17 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 62.12 112.381 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.466 HG21 HD12 ' A' ' 11' ' ' ILE . 10.7 p -143.93 177.95 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 61.43 111.14 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -55.22 -33.62 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 p -91.83 -23.02 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 64.04 110.895 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.51 -168.28 25.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 60.1 112.461 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.44 4.09 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.681 2.254 . . . . 61.3 112.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 6' ' ' THR . 69.9 mt -117.87 138.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.131 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -96.11 103.17 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.6 140.91 35.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 62.24 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -95.29 24.7 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 53.31 110.833 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.358 . . . . 74.3 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.05 108.11 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.824 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.476 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.32 159.87 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 73.35 111.141 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 151.48 69.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 21.52 112.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.6 p -143.86 177.94 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.1 111.186 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -54.25 -34.28 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.55 111.107 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -92.21 -23.43 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 53.41 110.857 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.98 -168.34 26.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 65.24 112.473 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.628 2.219 . . . . 63.32 112.377 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mm -114.64 133.52 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.11 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.01 130.07 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.72 144.94 43.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -95.66 26.46 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.872 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.893 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 71.54 110.833 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.02 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 65.1 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.21 159.78 70.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 61.41 111.104 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.49 68.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.744 2.296 . . . . 75.14 112.322 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.519 HG21 HD12 ' A' ' 11' ' ' ILE . 8.6 p -143.78 177.56 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 70.25 111.121 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.6 p -53.81 -34.28 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.181 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -92.2 -23.99 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.839 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.66 -168.39 26.36 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 71.13 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.519 HD12 HG21 ' A' ' 6' ' ' THR . 68.6 mt -114.77 133.52 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 130.42 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.81 144.94 43.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 55.42 111.005 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -95.75 26.26 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 72.52 110.837 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.845 0.355 . . . . 73.22 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.7 m -101.88 108.05 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -136.07 159.82 69.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 74.33 111.122 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 151.14 69.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.41 112.3 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.451 ' CG2' HG22 ' A' ' 11' ' ' ILE . 9.3 p -143.77 177.92 8.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.098 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -53.76 -34.51 59.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 65.25 111.167 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -92.19 -23.73 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.874 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.13 -168.52 26.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 71.23 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 75.03 112.332 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.451 HG22 ' CG2' ' A' ' 6' ' ' THR . 1.6 tt -115.23 132.87 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 65.41 111.109 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.41 132.15 43.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.826 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 13' ' ' LEU . 9.0 mt -117.03 144.63 44.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -95.3 23.86 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 55.34 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 73.33 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -102.06 108.06 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.946 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.58 159.88 70.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 74.44 111.167 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.01 66.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 73.44 112.364 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -144.48 -173.8 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 64.42 111.144 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 111.164 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 p -92.42 -1.0 57.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 60.12 110.809 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.06 -164.89 12.72 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.659 -0.782 . . . . 41.34 112.493 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 115.43 4.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.255 . . . . 71.15 112.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.1 132.33 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 62.12 111.078 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.23 129.32 47.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.907 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.79 145.07 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -95.86 27.29 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.815 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.813 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.87 0.367 . . . . 71.21 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m -102.01 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.899 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.78 159.93 70.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 72.23 111.129 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 149.01 65.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 62.3 112.333 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.43 -173.8 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.179 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -62.92 -35.82 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 73.32 111.1 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 p -92.35 -1.09 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.1 110.83 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -164.78 12.73 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.834 -0.698 . . . . 65.31 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 115.35 4.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 72.14 112.355 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 mm -112.85 132.14 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.55 128.61 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.94 145.04 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -95.76 27.2 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 50.24 110.928 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.82 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 60.12 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -102.1 109.25 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.869 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.501 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -127.84 159.9 63.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 62.22 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.14 69.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.633 2.222 . . . . 71.31 112.315 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -143.77 177.87 8.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.131 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -55.15 -33.32 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.122 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 p -92.09 -23.39 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.83 -168.24 26.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 60.55 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 115.48 4.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.645 2.23 . . . . 72.45 112.313 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.2 mm -118.05 139.52 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.123 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 m -97.66 102.38 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.34 110.908 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.83 141.35 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.11 110.917 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -95.02 23.81 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 63.35 110.883 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.862 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.8 0.333 . . . . 74.03 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -102.01 108.08 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 61.43 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.82 159.85 70.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 71.15 111.121 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.07 66.87 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.34 112.394 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.49 -173.79 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 72.14 111.124 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -62.93 -35.8 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 55.35 111.09 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.7 p -92.32 -1.12 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 -164.85 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.59 2.193 . . . . 71.54 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.1 mm -112.86 132.16 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.59 128.65 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.918 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -115.01 145.09 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 63.55 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -95.77 27.24 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.51 110.804 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.874 0.369 . . . . 73.53 110.82 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.13 109.36 21.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -127.58 159.85 63.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 72.35 111.09 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.7 152.22 69.55 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.605 2.203 . . . . 73.21 112.363 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.441 ' CG2' HG22 ' A' ' 11' ' ' ILE . 11.1 p -144.01 177.96 8.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 73.55 111.196 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -55.08 -33.66 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.23 111.099 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.84 -23.23 19.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 70.21 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.52 -168.16 25.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 71.22 112.541 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.4 4.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 73.15 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' CG2' ' A' ' 6' ' ' THR . 19.4 tt -117.93 139.19 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 74.1 111.09 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -97.05 103.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.845 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.82 140.93 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.53 110.925 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -95.22 24.33 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.886 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 63.31 110.82 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -102.08 111.0 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.873 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.493 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -129.3 159.85 67.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.521 0.677 . . . . 64.44 111.16 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 152.54 69.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 55.02 112.41 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.417 ' CG2' HG22 ' A' ' 11' ' ' ILE . 10.8 p -144.04 177.95 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 73.45 111.141 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -55.42 -33.23 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.204 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -92.23 -22.82 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.45 -168.0 25.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 73.54 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.38 4.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.636 2.224 . . . . 74.41 112.347 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.417 HG22 ' CG2' ' A' ' 6' ' ' THR . 15.0 tt -116.08 140.04 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 61.11 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.97 108.78 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.45 110.831 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.67 140.67 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 74.01 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -94.95 23.75 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.969 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.901 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.837 0.351 . . . . 74.22 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.01 108.34 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.07 159.91 70.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 53.11 111.11 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 148.94 66.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 73.25 112.394 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -144.31 -173.78 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 72.23 111.123 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -63.37 -35.84 81.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 73.22 111.146 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 p -92.31 -1.19 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.778 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.59 -164.52 12.96 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 73.13 112.439 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.728 2.285 . . . . 74.12 112.365 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.8 mm -111.2 130.35 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.54 111.094 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.25 124.21 48.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.885 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -112.08 144.63 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -95.56 31.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 65.32 110.933 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.941 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.832 0.349 . . . . 72.21 110.875 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -101.4 111.78 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.881 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.72 159.97 58.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 71.35 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.18 69.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.608 2.205 . . . . 53.33 112.364 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.449 ' CG2' HG22 ' A' ' 11' ' ' ILE . 10.5 p -144.07 177.4 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 55.54 111.152 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -54.67 -33.53 60.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 71.23 111.194 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.5 p -91.92 -23.82 19.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.39 -168.5 26.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 74.2 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 115.35 4.04 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.72 2.28 . . . . 70.11 112.349 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 6' ' ' THR . 10.6 tt -118.34 140.87 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.43 111.154 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 m -96.51 100.84 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.888 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -88.53 130.87 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 64.23 110.893 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -72.27 -8.82 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.859 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.886 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.804 0.335 . . . . 73.35 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.4 m -101.58 108.4 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.801 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.488 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -130.87 159.74 69.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 55.41 111.149 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.2 69.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 75.43 112.356 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.719 HG21 HD12 ' A' ' 11' ' ' ILE . 11.2 p -144.86 -173.86 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.134 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 p -63.4 -34.74 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 75.43 111.175 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p -92.32 -8.88 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.831 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.79 -165.56 20.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.5 112.445 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.713 2.275 . . . . 63.32 112.345 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.719 HD12 HG21 ' A' ' 6' ' ' THR . 62.5 mt -111.65 136.37 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 73.31 111.182 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.66 120.93 42.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 42.24 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.67 142.83 37.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -94.96 24.9 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 44.24 110.87 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 73.51 110.865 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 m -101.38 107.92 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 70.42 110.912 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.473 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -136.29 159.88 69.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 64.44 111.098 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.77 68.7 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.24 . . . . 64.2 112.324 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.447 HG21 HD12 ' A' ' 11' ' ' ILE . 9.2 p -143.56 177.55 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 64.53 111.09 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -53.36 -34.54 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.194 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -92.17 -24.22 19.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.873 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.72 -168.74 26.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 75.02 112.49 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 115.28 4.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.246 . . . . 70.14 112.403 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 6' ' ' THR . 50.6 mt -115.81 131.67 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 44.44 111.124 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.75 101.67 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.916 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.7 139.45 38.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.28 41.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.814 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 62.11 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -101.66 108.48 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 60.43 110.883 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.498 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -129.31 159.92 66.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 73.35 111.108 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 152.22 68.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 70.34 112.364 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -143.57 176.93 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.34 111.139 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -54.39 -33.18 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.31 111.101 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 p -92.15 -24.34 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.914 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.01 -168.33 26.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 53.2 112.504 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 73.14 112.396 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mm -117.63 140.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 72.45 111.144 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 m -102.46 99.85 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.87 129.84 35.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -72.18 -9.11 58.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.861 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.358 . . . . 74.12 110.823 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -101.97 115.35 30.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 54.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.1 pp -138.78 160.18 64.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 74.22 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 150.51 68.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 72.03 112.325 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.54 HG21 HD12 ' A' ' 11' ' ' ILE . 9.0 p -143.88 178.35 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -53.34 -37.94 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.193 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -88.54 -23.44 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.05 -166.96 26.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 53.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 115.41 4.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 70.14 112.29 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 6' ' ' THR . 71.0 mt -114.39 137.37 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.43 111.19 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.75 120.04 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -105.85 142.58 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.879 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -94.63 37.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 52.14 110.863 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.852 0.358 . . . . 75.42 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 m -102.41 113.3 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.918 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.463 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.1 pp -133.48 160.2 69.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.598 0.714 . . . . 74.24 111.142 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.17 67.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.744 2.296 . . . . 72.44 112.32 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -142.32 177.62 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 73.13 111.097 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -53.68 -33.56 55.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 63.3 111.193 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -92.29 -24.78 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.84 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.9 -168.58 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.721 . . . . 51.13 112.454 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 71.11 112.319 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.5 mt -119.25 138.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.192 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 m -95.76 99.95 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.28 138.29 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -94.95 35.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.34 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 41.34 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.4 m80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.796 0.332 . . . . 73.13 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 m -100.51 111.01 23.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.54 110.898 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.766 . . . . 33.45 111.119 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 152.42 69.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 60.4 112.299 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -143.99 176.98 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.21 111.195 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -33.16 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.083 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -92.19 -23.81 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 63.31 110.821 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.7 -168.61 26.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.844 -0.693 . . . . 75.52 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 115.3 4.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 71.43 112.361 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mm -117.34 138.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 70.1 111.085 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.54 102.14 13.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.876 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.4 129.05 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -77.75 -3.33 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.924 0.392 . . . . 61.22 110.801 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.5 m -101.99 108.01 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.04 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 159.91 70.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 71.02 111.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.66 68.89 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.659 2.24 . . . . 71.4 112.367 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.44 ' CG2' HG22 ' A' ' 11' ' ' ILE . 8.9 p -143.82 177.5 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 63.42 111.185 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -54.07 -34.06 59.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 72.1 111.145 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.25 -23.7 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 54.23 110.918 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.31 -168.38 26.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 60.54 112.532 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.35 4.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.226 . . . . 52.11 112.41 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.44 HG22 ' CG2' ' A' ' 6' ' ' THR . 8.2 tp -115.05 134.15 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.4 111.146 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.64 131.3 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.51 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -115.54 144.79 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 65.53 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -95.74 27.09 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.55 110.915 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.86 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 63.33 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.02 107.94 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 65.31 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.6 159.98 70.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 53.41 111.118 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 149.23 66.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 70.2 112.3 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.603 HG21 HD12 ' A' ' 11' ' ' ILE . 12.0 p -144.39 -173.84 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 71.05 111.166 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -63.2 -35.63 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.139 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 p -92.24 -1.2 57.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.32 -164.65 12.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.814 -0.708 . . . . 63.14 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 115.43 4.09 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 60.42 112.311 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 6' ' ' THR . 65.0 mt -112.93 132.91 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.16 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.77 129.51 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.844 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.76 144.83 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 65.01 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.842 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 65.45 110.81 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.46 -0.256 . . . . 54.04 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.21 -168.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 64.3 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 m -102.0 109.44 21.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.02 159.91 62.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 73.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.07 69.17 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 62.12 112.381 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.466 HG21 HD12 ' A' ' 11' ' ' ILE . 10.7 p -143.93 177.95 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 61.43 111.14 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -55.22 -33.62 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 p -91.83 -23.02 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 64.04 110.895 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.51 -168.28 25.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 60.1 112.461 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.44 4.09 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.681 2.254 . . . . 61.3 112.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 6' ' ' THR . 69.9 mt -117.87 138.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.131 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -96.11 103.17 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.6 140.91 35.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 62.24 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -95.29 24.7 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 53.31 110.833 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.508 -0.237 . . . . 74.51 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.93 -167.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 74.3 110.884 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.05 108.11 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.824 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.476 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.32 159.87 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 73.35 111.141 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 151.48 69.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 21.52 112.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.6 p -143.86 177.94 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.1 111.186 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -54.25 -34.28 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.55 111.107 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -92.21 -23.43 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 53.41 110.857 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.98 -168.34 26.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 65.24 112.473 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.628 2.219 . . . . 63.32 112.377 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mm -114.64 133.52 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.11 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.01 130.07 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.72 144.94 43.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -95.66 26.46 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.872 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.893 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 71.34 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.82 -167.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 71.54 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.02 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 65.1 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.21 159.78 70.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 61.41 111.104 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.49 68.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.744 2.296 . . . . 75.14 112.322 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.519 HG21 HD12 ' A' ' 11' ' ' ILE . 8.6 p -143.78 177.56 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 70.25 111.121 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.6 p -53.81 -34.28 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.181 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -92.2 -23.99 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.839 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.66 -168.39 26.36 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 71.13 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.519 HD12 HG21 ' A' ' 6' ' ' THR . 68.6 mt -114.77 133.52 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 130.42 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.81 144.94 43.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 55.42 111.005 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -95.75 26.26 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 72.52 110.837 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.445 -0.262 . . . . 64.43 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.86 -167.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 73.22 110.858 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.7 m -101.88 108.05 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -136.07 159.82 69.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 74.33 111.122 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 151.14 69.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.41 112.3 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.451 ' CG2' HG22 ' A' ' 11' ' ' ILE . 9.3 p -143.77 177.92 8.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.098 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -53.76 -34.51 59.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 65.25 111.167 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -92.19 -23.73 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.874 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.13 -168.52 26.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 71.23 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 75.03 112.332 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.451 HG22 ' CG2' ' A' ' 6' ' ' THR . 1.6 tt -115.23 132.87 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 65.41 111.109 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.41 132.15 43.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.826 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 13' ' ' LEU . 9.0 mt -117.03 144.63 44.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -95.3 23.86 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 55.34 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.523 -0.231 . . . . 53.51 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.88 -168.26 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 73.33 110.924 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -102.06 108.06 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.946 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.58 159.88 70.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 74.44 111.167 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.01 66.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 73.44 112.364 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -144.48 -173.8 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 64.42 111.144 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 111.164 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 p -92.42 -1.0 57.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 60.12 110.809 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.06 -164.89 12.72 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.659 -0.782 . . . . 41.34 112.493 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 115.43 4.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.255 . . . . 71.15 112.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.1 132.33 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 62.12 111.078 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.23 129.32 47.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.907 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.79 145.07 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -95.86 27.29 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.815 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.813 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 72.44 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.91 -168.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 71.21 110.87 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m -102.01 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.899 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.78 159.93 70.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 72.23 111.129 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 149.01 65.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 62.3 112.333 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.43 -173.8 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.179 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -62.92 -35.82 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 73.32 111.1 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 p -92.35 -1.09 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.1 110.83 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -164.78 12.73 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.834 -0.698 . . . . 65.31 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 115.35 4.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 72.14 112.355 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 mm -112.85 132.14 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.55 128.61 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.94 145.04 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -95.76 27.2 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 50.24 110.928 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.82 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.42 -0.272 . . . . 72.14 112.42 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.25 -168.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 60.12 110.866 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -102.1 109.25 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.869 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.501 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -127.84 159.9 63.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 62.22 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.14 69.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.633 2.222 . . . . 71.31 112.315 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -143.77 177.87 8.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.131 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -55.15 -33.32 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.122 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 p -92.09 -23.39 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.83 -168.24 26.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 60.55 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 115.48 4.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.645 2.23 . . . . 72.45 112.313 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.2 mm -118.05 139.52 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.123 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 m -97.66 102.38 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.34 110.908 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.83 141.35 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.11 110.917 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -95.02 23.81 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 63.35 110.883 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.862 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.454 -0.258 . . . . 73.34 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.83 -168.2 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 74.03 110.949 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -102.01 108.08 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 61.43 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.82 159.85 70.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 71.15 111.121 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.07 66.87 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.34 112.394 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.49 -173.79 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 72.14 111.124 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -62.93 -35.8 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 55.35 111.09 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.7 p -92.32 -1.12 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 -164.85 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.59 2.193 . . . . 71.54 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.1 mm -112.86 132.16 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.59 128.65 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.918 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -115.01 145.09 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 63.55 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -95.77 27.24 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.51 110.804 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.447 -0.261 . . . . 71.44 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.28 -168.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.369 . . . . 73.53 110.82 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.13 109.36 21.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -127.58 159.85 63.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 72.35 111.09 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.7 152.22 69.55 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.605 2.203 . . . . 73.21 112.363 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.441 ' CG2' HG22 ' A' ' 11' ' ' ILE . 11.1 p -144.01 177.96 8.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 73.55 111.196 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -55.08 -33.66 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.23 111.099 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.84 -23.23 19.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 70.21 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.52 -168.16 25.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 71.22 112.541 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.4 4.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 73.15 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' CG2' ' A' ' 6' ' ' THR . 19.4 tt -117.93 139.19 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 74.1 111.09 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -97.05 103.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.845 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.82 140.93 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.53 110.925 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -95.22 24.33 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.886 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.474 -0.25 . . . . 75.24 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 -171.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 63.31 110.82 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -102.08 111.0 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.873 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.493 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -129.3 159.85 67.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.521 0.677 . . . . 64.44 111.16 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 152.54 69.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 55.02 112.41 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 ' CG2' HG22 ' A' ' 11' ' ' ILE . 10.8 p -144.04 177.95 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 73.45 111.141 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -55.42 -33.23 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.204 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -92.23 -22.82 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.45 -168.0 25.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 73.54 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.38 4.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.636 2.224 . . . . 74.41 112.347 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.417 HG22 ' CG2' ' A' ' 6' ' ' THR . 15.0 tt -116.08 140.04 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 61.11 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.97 108.78 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.45 110.831 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.67 140.67 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 74.01 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -94.95 23.75 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.969 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.901 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.478 -0.249 . . . . 74.03 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.96 -170.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 74.22 110.867 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.01 108.34 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.07 159.91 70.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 53.11 111.11 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 148.94 66.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 73.25 112.394 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -144.31 -173.78 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 72.23 111.123 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -63.37 -35.84 81.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 73.22 111.146 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 p -92.31 -1.19 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.778 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.59 -164.52 12.96 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 73.13 112.439 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.728 2.285 . . . . 74.12 112.365 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.8 mm -111.2 130.35 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.54 111.094 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.25 124.21 48.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.885 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -112.08 144.63 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -95.56 31.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 65.32 110.933 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.941 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.527 -0.229 . . . . 73.54 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.08 -166.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 72.21 110.875 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -101.4 111.78 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.881 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.72 159.97 58.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 71.35 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.18 69.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.608 2.205 . . . . 53.33 112.364 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.449 ' CG2' HG22 ' A' ' 11' ' ' ILE . 10.5 p -144.07 177.4 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 55.54 111.152 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -54.67 -33.53 60.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 71.23 111.194 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.5 p -91.92 -23.82 19.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.39 -168.5 26.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 74.2 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 115.35 4.04 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.72 2.28 . . . . 70.11 112.349 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 6' ' ' THR . 10.6 tt -118.34 140.87 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.43 111.154 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 m -96.51 100.84 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.888 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -88.53 130.87 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 64.23 110.893 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -72.27 -8.82 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.859 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.886 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.55 -0.22 . . . . 13.21 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -149.17 -166.53 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 73.35 110.842 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.4 m -101.58 108.4 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.801 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.488 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -130.87 159.74 69.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 55.41 111.149 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.2 69.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 75.43 112.356 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.719 HG21 HD12 ' A' ' 11' ' ' ILE . 11.2 p -144.86 -173.86 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.134 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 p -63.4 -34.74 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 75.43 111.175 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p -92.32 -8.88 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.831 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.79 -165.56 20.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.5 112.445 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.713 2.275 . . . . 63.32 112.345 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.719 HD12 HG21 ' A' ' 6' ' ' THR . 62.5 mt -111.65 136.37 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 73.31 111.182 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.66 120.93 42.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 42.24 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.67 142.83 37.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -94.96 24.9 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 44.24 110.87 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.541 -0.224 . . . . 64.12 112.541 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.04 -166.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 73.51 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 m -101.38 107.92 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 70.42 110.912 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.473 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -136.29 159.88 69.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 64.44 111.098 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.77 68.7 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.24 . . . . 64.2 112.324 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.447 HG21 HD12 ' A' ' 11' ' ' ILE . 9.2 p -143.56 177.55 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 64.53 111.09 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -53.36 -34.54 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.194 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -92.17 -24.22 19.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.873 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.72 -168.74 26.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 75.02 112.49 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 115.28 4.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.246 . . . . 70.14 112.403 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 6' ' ' THR . 50.6 mt -115.81 131.67 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 44.44 111.124 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.75 101.67 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.916 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.7 139.45 38.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.28 41.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.814 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.555 -0.218 . . . . 45.42 112.555 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -167.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 62.11 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -101.66 108.48 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 60.43 110.883 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.498 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -129.31 159.92 66.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 73.35 111.108 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 152.22 68.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 70.34 112.364 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -143.57 176.93 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.34 111.139 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -54.39 -33.18 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.31 111.101 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 p -92.15 -24.34 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.914 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.01 -168.33 26.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 53.2 112.504 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 73.14 112.396 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mm -117.63 140.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 72.45 111.144 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 m -102.46 99.85 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.87 129.84 35.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -72.18 -9.11 58.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.861 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.54 -0.224 . . . . 45.41 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 -169.12 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 74.12 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -101.97 115.35 30.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 54.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.1 pp -138.78 160.18 64.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 74.22 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 150.51 68.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 72.03 112.325 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.54 HG21 HD12 ' A' ' 11' ' ' ILE . 9.0 p -143.88 178.35 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -53.34 -37.94 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.193 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -88.54 -23.44 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.05 -166.96 26.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 53.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 115.41 4.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 70.14 112.29 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 6' ' ' THR . 71.0 mt -114.39 137.37 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.43 111.19 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.75 120.04 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -105.85 142.58 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.879 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -94.63 37.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 52.14 110.863 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 65.31 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.48 -170.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 75.42 110.841 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 m -102.41 113.3 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.918 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.463 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.1 pp -133.48 160.2 69.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.598 0.714 . . . . 74.24 111.142 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.17 67.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.744 2.296 . . . . 72.44 112.32 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -142.32 177.62 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 73.13 111.097 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -53.68 -33.56 55.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 63.3 111.193 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -92.29 -24.78 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.84 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.9 -168.58 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.721 . . . . 51.13 112.454 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 71.11 112.319 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.5 mt -119.25 138.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.192 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 m -95.76 99.95 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.28 138.29 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -94.95 35.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.34 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 41.34 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.525 -0.23 . . . . 73.31 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -147.39 -163.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 73.13 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 m -100.51 111.01 23.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.54 110.898 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.766 . . . . 33.45 111.119 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 152.42 69.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 60.4 112.299 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -143.99 176.98 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.21 111.195 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -33.16 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.083 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -92.19 -23.81 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 63.31 110.821 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.7 -168.61 26.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.844 -0.693 . . . . 75.52 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 115.3 4.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 71.43 112.361 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mm -117.34 138.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 70.1 111.085 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.54 102.14 13.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.876 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.4 129.05 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -77.75 -3.33 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.482 -0.247 . . . . 34.12 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.87 -167.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 61.22 110.801 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.5 m -101.99 108.01 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.04 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 159.91 70.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 71.02 111.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.66 68.89 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.659 2.24 . . . . 71.4 112.367 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.44 ' CG2' HG22 ' A' ' 11' ' ' ILE . 8.9 p -143.82 177.5 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 63.42 111.185 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -54.07 -34.06 59.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 72.1 111.145 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.25 -23.7 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 54.23 110.918 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.31 -168.38 26.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 60.54 112.532 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.35 4.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.226 . . . . 52.11 112.41 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.44 HG22 ' CG2' ' A' ' 6' ' ' THR . 8.2 tp -115.05 134.15 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.4 111.146 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.64 131.3 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.51 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -115.54 144.79 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 65.53 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -95.74 27.09 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.55 110.915 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.86 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.478 -0.249 . . . . 14.34 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.88 -168.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 63.33 110.891 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.02 107.94 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 65.31 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.6 159.98 70.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 53.41 111.118 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 149.23 66.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 70.2 112.3 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.603 HG21 HD12 ' A' ' 11' ' ' ILE . 12.0 p -144.39 -173.84 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 71.05 111.166 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -63.2 -35.63 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.139 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 p -92.24 -1.2 57.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.32 -164.65 12.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.814 -0.708 . . . . 63.14 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 115.43 4.09 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 60.42 112.311 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 6' ' ' THR . 65.0 mt -112.93 132.91 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.16 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.77 129.51 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.844 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.76 144.83 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 65.01 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.842 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 65.45 110.81 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.832 0.348 . . . . 64.3 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 m -102.0 109.44 21.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.02 159.91 62.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 73.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.07 69.17 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 62.12 112.381 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.466 HG21 HD12 ' A' ' 11' ' ' ILE . 10.7 p -143.93 177.95 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 61.43 111.14 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -55.22 -33.62 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 p -91.83 -23.02 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 64.04 110.895 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.51 -168.28 25.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 60.1 112.461 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.44 4.09 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.681 2.254 . . . . 61.3 112.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 6' ' ' THR . 69.9 mt -117.87 138.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.131 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -96.11 103.17 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.6 140.91 35.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 62.24 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -95.29 24.7 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 53.31 110.833 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.358 . . . . 74.3 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.05 108.11 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.824 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.476 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.32 159.87 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 73.35 111.141 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 151.48 69.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 21.52 112.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.6 p -143.86 177.94 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.1 111.186 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -54.25 -34.28 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.55 111.107 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -92.21 -23.43 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 53.41 110.857 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.98 -168.34 26.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 65.24 112.473 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.628 2.219 . . . . 63.32 112.377 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mm -114.64 133.52 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.11 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.01 130.07 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.72 144.94 43.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -95.66 26.46 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.872 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.893 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 71.54 110.833 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.02 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 65.1 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.21 159.78 70.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 61.41 111.104 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.49 68.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.744 2.296 . . . . 75.14 112.322 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.519 HG21 HD12 ' A' ' 11' ' ' ILE . 8.6 p -143.78 177.56 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 70.25 111.121 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.6 p -53.81 -34.28 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.181 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -92.2 -23.99 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.839 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.66 -168.39 26.36 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 71.13 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.519 HD12 HG21 ' A' ' 6' ' ' THR . 68.6 mt -114.77 133.52 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 130.42 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.81 144.94 43.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 55.42 111.005 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -95.75 26.26 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 72.52 110.837 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.845 0.355 . . . . 73.22 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.7 m -101.88 108.05 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -136.07 159.82 69.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 74.33 111.122 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 151.14 69.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.41 112.3 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.451 ' CG2' HG22 ' A' ' 11' ' ' ILE . 9.3 p -143.77 177.92 8.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.098 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -53.76 -34.51 59.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 65.25 111.167 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -92.19 -23.73 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.874 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.13 -168.52 26.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 71.23 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 75.03 112.332 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.451 HG22 ' CG2' ' A' ' 6' ' ' THR . 1.6 tt -115.23 132.87 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 65.41 111.109 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.41 132.15 43.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.826 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 13' ' ' LEU . 9.0 mt -117.03 144.63 44.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -95.3 23.86 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 55.34 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 73.33 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -102.06 108.06 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.946 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.58 159.88 70.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 74.44 111.167 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.01 66.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 73.44 112.364 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -144.48 -173.8 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 64.42 111.144 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 111.164 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 p -92.42 -1.0 57.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 60.12 110.809 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.06 -164.89 12.72 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.659 -0.782 . . . . 41.34 112.493 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 115.43 4.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.255 . . . . 71.15 112.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.1 132.33 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 62.12 111.078 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.23 129.32 47.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.907 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.79 145.07 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -95.86 27.29 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.815 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.813 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.87 0.367 . . . . 71.21 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m -102.01 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.899 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.78 159.93 70.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 72.23 111.129 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 149.01 65.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 62.3 112.333 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.43 -173.8 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.179 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -62.92 -35.82 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 73.32 111.1 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 p -92.35 -1.09 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.1 110.83 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -164.78 12.73 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.834 -0.698 . . . . 65.31 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 115.35 4.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 72.14 112.355 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 mm -112.85 132.14 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.55 128.61 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.94 145.04 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -95.76 27.2 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 50.24 110.928 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.82 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.83 0.348 . . . . 60.12 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -102.1 109.25 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.869 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.501 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -127.84 159.9 63.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 62.22 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.14 69.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.633 2.222 . . . . 71.31 112.315 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -143.77 177.87 8.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.131 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -55.15 -33.32 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.122 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 p -92.09 -23.39 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.83 -168.24 26.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 60.55 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 115.48 4.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.645 2.23 . . . . 72.45 112.313 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.2 mm -118.05 139.52 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.123 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 m -97.66 102.38 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.34 110.908 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.83 141.35 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.11 110.917 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -95.02 23.81 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 63.35 110.883 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.862 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.8 0.333 . . . . 74.03 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -102.01 108.08 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 61.43 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.82 159.85 70.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 71.15 111.121 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.07 66.87 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.34 112.394 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.49 -173.79 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 72.14 111.124 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -62.93 -35.8 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 55.35 111.09 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.7 p -92.32 -1.12 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 -164.85 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.59 2.193 . . . . 71.54 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.1 mm -112.86 132.16 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.59 128.65 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.918 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -115.01 145.09 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 63.55 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -95.77 27.24 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.51 110.804 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.874 0.369 . . . . 73.53 110.82 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.13 109.36 21.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -127.58 159.85 63.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 72.35 111.09 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.7 152.22 69.55 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.605 2.203 . . . . 73.21 112.363 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.441 ' CG2' HG22 ' A' ' 11' ' ' ILE . 11.1 p -144.01 177.96 8.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 73.55 111.196 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -55.08 -33.66 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.23 111.099 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.84 -23.23 19.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 70.21 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.52 -168.16 25.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 71.22 112.541 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.4 4.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 73.15 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' CG2' ' A' ' 6' ' ' THR . 19.4 tt -117.93 139.19 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 74.1 111.09 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -97.05 103.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.845 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.82 140.93 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.53 110.925 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -95.22 24.33 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.886 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 63.31 110.82 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -102.08 111.0 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.873 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.493 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -129.3 159.85 67.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.521 0.677 . . . . 64.44 111.16 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 152.54 69.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 55.02 112.41 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.417 ' CG2' HG22 ' A' ' 11' ' ' ILE . 10.8 p -144.04 177.95 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 73.45 111.141 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -55.42 -33.23 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.204 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -92.23 -22.82 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.45 -168.0 25.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 73.54 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.38 4.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.636 2.224 . . . . 74.41 112.347 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.417 HG22 ' CG2' ' A' ' 6' ' ' THR . 15.0 tt -116.08 140.04 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 61.11 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.97 108.78 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.45 110.831 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.67 140.67 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 74.01 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -94.95 23.75 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.969 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.901 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.837 0.351 . . . . 74.22 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.01 108.34 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.07 159.91 70.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 53.11 111.11 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 148.94 66.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 73.25 112.394 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -144.31 -173.78 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 72.23 111.123 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -63.37 -35.84 81.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 73.22 111.146 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 p -92.31 -1.19 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.778 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.59 -164.52 12.96 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 73.13 112.439 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.728 2.285 . . . . 74.12 112.365 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.8 mm -111.2 130.35 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.54 111.094 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.25 124.21 48.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.885 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -112.08 144.63 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -95.56 31.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 65.32 110.933 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.941 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.832 0.349 . . . . 72.21 110.875 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -101.4 111.78 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.881 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.72 159.97 58.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 71.35 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.18 69.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.608 2.205 . . . . 53.33 112.364 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.449 ' CG2' HG22 ' A' ' 11' ' ' ILE . 10.5 p -144.07 177.4 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 55.54 111.152 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -54.67 -33.53 60.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 71.23 111.194 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.5 p -91.92 -23.82 19.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.39 -168.5 26.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 74.2 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 115.35 4.04 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.72 2.28 . . . . 70.11 112.349 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 6' ' ' THR . 10.6 tt -118.34 140.87 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.43 111.154 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 m -96.51 100.84 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.888 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -88.53 130.87 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 64.23 110.893 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -72.27 -8.82 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.859 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.886 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.804 0.335 . . . . 73.35 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.4 m -101.58 108.4 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.801 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.488 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -130.87 159.74 69.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 55.41 111.149 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.2 69.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 75.43 112.356 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.719 HG21 HD12 ' A' ' 11' ' ' ILE . 11.2 p -144.86 -173.86 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.134 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 p -63.4 -34.74 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 75.43 111.175 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p -92.32 -8.88 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.831 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.79 -165.56 20.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.5 112.445 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.713 2.275 . . . . 63.32 112.345 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.719 HD12 HG21 ' A' ' 6' ' ' THR . 62.5 mt -111.65 136.37 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 73.31 111.182 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.66 120.93 42.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 42.24 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.67 142.83 37.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -94.96 24.9 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 44.24 110.87 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 73.51 110.865 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 m -101.38 107.92 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 70.42 110.912 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.473 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -136.29 159.88 69.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 64.44 111.098 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.77 68.7 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.24 . . . . 64.2 112.324 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.447 HG21 HD12 ' A' ' 11' ' ' ILE . 9.2 p -143.56 177.55 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 64.53 111.09 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -53.36 -34.54 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.194 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -92.17 -24.22 19.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.873 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.72 -168.74 26.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 75.02 112.49 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 115.28 4.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.246 . . . . 70.14 112.403 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 6' ' ' THR . 50.6 mt -115.81 131.67 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 44.44 111.124 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.75 101.67 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.916 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.7 139.45 38.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.28 41.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.814 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 62.11 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -101.66 108.48 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 60.43 110.883 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.498 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -129.31 159.92 66.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 73.35 111.108 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 152.22 68.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 70.34 112.364 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -143.57 176.93 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.34 111.139 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -54.39 -33.18 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.31 111.101 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 p -92.15 -24.34 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.914 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.01 -168.33 26.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 53.2 112.504 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 73.14 112.396 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mm -117.63 140.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 72.45 111.144 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 m -102.46 99.85 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.87 129.84 35.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -72.18 -9.11 58.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.861 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.358 . . . . 74.12 110.823 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -101.97 115.35 30.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 54.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.1 pp -138.78 160.18 64.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 74.22 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 150.51 68.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 72.03 112.325 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.54 HG21 HD12 ' A' ' 11' ' ' ILE . 9.0 p -143.88 178.35 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -53.34 -37.94 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.193 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -88.54 -23.44 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.05 -166.96 26.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 53.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 115.41 4.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 70.14 112.29 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 6' ' ' THR . 71.0 mt -114.39 137.37 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.43 111.19 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.75 120.04 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -105.85 142.58 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.879 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -94.63 37.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 52.14 110.863 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.852 0.358 . . . . 75.42 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 m -102.41 113.3 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.918 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.463 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.1 pp -133.48 160.2 69.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.598 0.714 . . . . 74.24 111.142 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.17 67.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.744 2.296 . . . . 72.44 112.32 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -142.32 177.62 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 73.13 111.097 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -53.68 -33.56 55.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 63.3 111.193 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -92.29 -24.78 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.84 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.9 -168.58 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.721 . . . . 51.13 112.454 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 71.11 112.319 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.5 mt -119.25 138.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.192 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 m -95.76 99.95 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.28 138.29 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -94.95 35.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.34 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 41.34 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.4 m80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.796 0.332 . . . . 73.13 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 m -100.51 111.01 23.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.54 110.898 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.766 . . . . 33.45 111.119 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 152.42 69.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 60.4 112.299 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -143.99 176.98 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.21 111.195 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -33.16 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.083 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -92.19 -23.81 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 63.31 110.821 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.7 -168.61 26.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.844 -0.693 . . . . 75.52 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 115.3 4.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 71.43 112.361 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mm -117.34 138.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 70.1 111.085 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.54 102.14 13.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.876 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.4 129.05 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -77.75 -3.33 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.924 0.392 . . . . 61.22 110.801 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.5 m -101.99 108.01 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.04 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 159.91 70.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 71.02 111.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.66 68.89 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.659 2.24 . . . . 71.4 112.367 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.44 ' CG2' HG22 ' A' ' 11' ' ' ILE . 8.9 p -143.82 177.5 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 63.42 111.185 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -54.07 -34.06 59.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 72.1 111.145 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.25 -23.7 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 54.23 110.918 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.31 -168.38 26.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 60.54 112.532 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.35 4.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.226 . . . . 52.11 112.41 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.44 HG22 ' CG2' ' A' ' 6' ' ' THR . 8.2 tp -115.05 134.15 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.4 111.146 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.64 131.3 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.51 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -115.54 144.79 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 65.53 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -95.74 27.09 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.55 110.915 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.86 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 63.33 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.02 107.94 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 65.31 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.6 159.98 70.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 53.41 111.118 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 149.23 66.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 70.2 112.3 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.603 HG21 HD12 ' A' ' 11' ' ' ILE . 12.0 p -144.39 -173.84 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 71.05 111.166 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -63.2 -35.63 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.139 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 p -92.24 -1.2 57.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.32 -164.65 12.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.814 -0.708 . . . . 63.14 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 115.43 4.09 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 60.42 112.311 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 6' ' ' THR . 65.0 mt -112.93 132.91 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.16 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.77 129.51 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.844 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.76 144.83 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 65.01 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.842 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 65.45 110.81 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.46 -0.256 . . . . 54.04 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.21 -168.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 64.3 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 m -102.0 109.44 21.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.02 159.91 62.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 73.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.07 69.17 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 62.12 112.381 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.466 HG21 HD12 ' A' ' 11' ' ' ILE . 10.7 p -143.93 177.95 8.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 61.43 111.14 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -55.22 -33.62 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 p -91.83 -23.02 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 64.04 110.895 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.51 -168.28 25.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 60.1 112.461 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.44 4.09 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.681 2.254 . . . . 61.3 112.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 6' ' ' THR . 69.9 mt -117.87 138.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.131 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -96.11 103.17 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.6 140.91 35.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 62.24 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -95.29 24.7 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 53.31 110.833 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.508 -0.237 . . . . 74.51 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.93 -167.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 74.3 110.884 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.05 108.11 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.824 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.476 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.32 159.87 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 73.35 111.141 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 151.48 69.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 21.52 112.419 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.6 p -143.86 177.94 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.1 111.186 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -54.25 -34.28 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.55 111.107 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -92.21 -23.43 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 53.41 110.857 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.98 -168.34 26.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 65.24 112.473 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.628 2.219 . . . . 63.32 112.377 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mm -114.64 133.52 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.11 111.11 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.01 130.07 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.72 144.94 43.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -95.66 26.46 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.872 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.893 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.469 -0.252 . . . . 71.34 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.82 -167.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 71.54 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.02 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 65.1 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.21 159.78 70.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 61.41 111.104 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.49 68.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.744 2.296 . . . . 75.14 112.322 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.519 HG21 HD12 ' A' ' 11' ' ' ILE . 8.6 p -143.78 177.56 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 70.25 111.121 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.6 p -53.81 -34.28 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.181 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.8 p -92.2 -23.99 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.839 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.66 -168.39 26.36 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.24 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 71.13 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.519 HD12 HG21 ' A' ' 6' ' ' THR . 68.6 mt -114.77 133.52 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 130.42 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -115.81 144.94 43.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 55.42 111.005 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -95.75 26.26 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 64.4 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 72.52 110.837 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.445 -0.262 . . . . 64.43 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.86 -167.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 73.22 110.858 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.7 m -101.88 108.05 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -136.07 159.82 69.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 74.33 111.122 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 151.14 69.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.41 112.3 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.451 ' CG2' HG22 ' A' ' 11' ' ' ILE . 9.3 p -143.77 177.92 8.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.098 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -53.76 -34.51 59.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 65.25 111.167 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -92.19 -23.73 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.874 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.13 -168.52 26.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 71.23 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 75.03 112.332 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.451 HG22 ' CG2' ' A' ' 6' ' ' THR . 1.6 tt -115.23 132.87 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 65.41 111.109 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -97.41 132.15 43.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.826 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 13' ' ' LEU . 9.0 mt -117.03 144.63 44.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -95.3 23.86 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 55.34 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.523 -0.231 . . . . 53.51 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.88 -168.26 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 73.33 110.924 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -102.06 108.06 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.946 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.58 159.88 70.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 74.44 111.167 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.01 66.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 73.44 112.364 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -144.48 -173.8 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 64.42 111.144 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 111.164 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 p -92.42 -1.0 57.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 60.12 110.809 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.06 -164.89 12.72 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.659 -0.782 . . . . 41.34 112.493 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 115.43 4.08 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.255 . . . . 71.15 112.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.1 132.33 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 62.12 111.078 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.23 129.32 47.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.907 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -114.79 145.07 42.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -95.86 27.29 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.815 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.813 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 72.44 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.91 -168.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 71.21 110.87 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m -102.01 108.09 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.899 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.78 159.93 70.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 72.23 111.129 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 149.01 65.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 62.3 112.333 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.43 -173.8 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.179 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -62.92 -35.82 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 73.32 111.1 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 p -92.35 -1.09 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.1 110.83 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.03 -164.78 12.73 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.834 -0.698 . . . . 65.31 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 115.35 4.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 72.14 112.355 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 mm -112.85 132.14 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.55 128.61 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.94 145.04 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -95.76 27.2 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 50.24 110.928 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.82 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.42 -0.272 . . . . 72.14 112.42 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.25 -168.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 60.12 110.866 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -102.1 109.25 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.869 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.501 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -127.84 159.9 63.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 62.22 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.14 69.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.633 2.222 . . . . 71.31 112.315 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 p -143.77 177.87 8.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.131 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -55.15 -33.32 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.122 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 p -92.09 -23.39 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.881 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.83 -168.24 26.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 60.55 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 115.48 4.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.645 2.23 . . . . 72.45 112.313 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.2 mm -118.05 139.52 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.123 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 m -97.66 102.38 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.34 110.908 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.83 141.35 34.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.11 110.917 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -95.02 23.81 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 63.35 110.883 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.862 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.454 -0.258 . . . . 73.34 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.83 -168.2 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 74.03 110.949 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -102.01 108.08 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 61.43 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -133.82 159.85 70.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 71.15 111.121 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.07 66.87 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.34 112.394 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 p -144.49 -173.79 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 72.14 111.124 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -62.93 -35.8 81.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 55.35 111.09 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.7 p -92.32 -1.12 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 -164.85 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.59 2.193 . . . . 71.54 112.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.1 mm -112.86 132.16 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.59 128.65 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.918 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -115.01 145.09 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 63.55 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -95.77 27.24 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.51 110.804 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.447 -0.261 . . . . 71.44 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.28 -168.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.369 . . . . 73.53 110.82 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.2 m -102.13 109.36 21.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -127.58 159.85 63.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 72.35 111.09 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.7 152.22 69.55 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.605 2.203 . . . . 73.21 112.363 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.441 ' CG2' HG22 ' A' ' 11' ' ' ILE . 11.1 p -144.01 177.96 8.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 73.55 111.196 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -55.08 -33.66 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.23 111.099 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -91.84 -23.23 19.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 70.21 110.836 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.52 -168.16 25.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 71.22 112.541 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 115.4 4.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 73.15 112.392 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' CG2' ' A' ' 6' ' ' THR . 19.4 tt -117.93 139.19 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 74.1 111.09 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -97.05 103.29 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.845 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.82 140.93 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.53 110.925 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -95.22 24.33 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 70.14 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.886 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.474 -0.25 . . . . 75.24 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -170.42 -171.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 63.31 110.82 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -102.08 111.0 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.873 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.493 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -129.3 159.85 67.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.521 0.677 . . . . 64.44 111.16 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 152.54 69.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 55.02 112.41 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 ' CG2' HG22 ' A' ' 11' ' ' ILE . 10.8 p -144.04 177.95 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 73.45 111.141 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -55.42 -33.23 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.204 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -92.23 -22.82 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.45 -168.0 25.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 73.54 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.38 4.07 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.636 2.224 . . . . 74.41 112.347 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.417 HG22 ' CG2' ' A' ' 6' ' ' THR . 15.0 tt -116.08 140.04 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 61.11 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.97 108.78 20.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.45 110.831 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.67 140.67 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 74.01 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -94.95 23.75 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.969 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.901 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.478 -0.249 . . . . 74.03 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.96 -170.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 74.22 110.867 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.01 108.34 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.475 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -135.07 159.91 70.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 53.11 111.11 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 148.94 66.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 73.25 112.394 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 p -144.31 -173.78 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 72.23 111.123 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -63.37 -35.84 81.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 73.22 111.146 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 p -92.31 -1.19 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.778 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.59 -164.52 12.96 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 73.13 112.439 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.728 2.285 . . . . 74.12 112.365 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.8 mm -111.2 130.35 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.54 111.094 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.25 124.21 48.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.885 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -112.08 144.63 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.851 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -95.56 31.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 65.32 110.933 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.941 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.527 -0.229 . . . . 73.54 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.08 -166.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 72.21 110.875 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -101.4 111.78 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.881 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.72 159.97 58.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 71.35 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.18 69.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.608 2.205 . . . . 53.33 112.364 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.449 ' CG2' HG22 ' A' ' 11' ' ' ILE . 10.5 p -144.07 177.4 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 55.54 111.152 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -54.67 -33.53 60.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 71.23 111.194 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.5 p -91.92 -23.82 19.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.39 -168.5 26.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 74.2 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 115.35 4.04 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.72 2.28 . . . . 70.11 112.349 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 6' ' ' THR . 10.6 tt -118.34 140.87 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.43 111.154 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 m -96.51 100.84 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.888 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -88.53 130.87 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 64.23 110.893 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -72.27 -8.82 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.859 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.886 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.55 -0.22 . . . . 13.21 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -149.17 -166.53 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 73.35 110.842 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.4 m -101.58 108.4 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.801 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.488 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -130.87 159.74 69.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 55.41 111.149 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 152.2 69.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 75.43 112.356 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.719 HG21 HD12 ' A' ' 11' ' ' ILE . 11.2 p -144.86 -173.86 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.134 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 p -63.4 -34.74 78.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 75.43 111.175 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p -92.32 -8.88 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.831 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.79 -165.56 20.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.5 112.445 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.713 2.275 . . . . 63.32 112.345 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.719 HD12 HG21 ' A' ' 6' ' ' THR . 62.5 mt -111.65 136.37 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 73.31 111.182 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.66 120.93 42.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 42.24 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -107.67 142.83 37.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 74.31 110.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -94.96 24.9 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 44.24 110.87 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.541 -0.224 . . . . 64.12 112.541 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.04 -166.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 73.51 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 m -101.38 107.92 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 70.42 110.912 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.473 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -136.29 159.88 69.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 64.44 111.098 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.77 68.7 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.24 . . . . 64.2 112.324 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.447 HG21 HD12 ' A' ' 11' ' ' ILE . 9.2 p -143.56 177.55 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 64.53 111.09 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -53.36 -34.54 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.194 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -92.17 -24.22 19.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.873 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.72 -168.74 26.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 75.02 112.49 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 115.28 4.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.246 . . . . 70.14 112.403 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 6' ' ' THR . 50.6 mt -115.81 131.67 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 44.44 111.124 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.75 101.67 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.916 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.7 139.45 38.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.28 41.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.814 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.555 -0.218 . . . . 45.42 112.555 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -167.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 62.11 110.899 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.7 m -101.66 108.48 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 60.43 110.883 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.498 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -129.31 159.92 66.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 73.35 111.108 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 152.22 68.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 70.34 112.364 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -143.57 176.93 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.34 111.139 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -54.39 -33.18 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.31 111.101 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 p -92.15 -24.34 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.914 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.01 -168.33 26.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 53.2 112.504 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 73.14 112.396 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mm -117.63 140.89 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 72.45 111.144 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 m -102.46 99.85 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.87 129.84 35.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -72.18 -9.11 58.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.861 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.54 -0.224 . . . . 45.41 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.9 -169.12 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 74.12 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 m -101.97 115.35 30.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 54.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.1 pp -138.78 160.18 64.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.713 . . . . 74.22 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 150.51 68.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 72.03 112.325 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.54 HG21 HD12 ' A' ' 11' ' ' ILE . 9.0 p -143.88 178.35 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.131 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -53.34 -37.94 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.193 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -88.54 -23.44 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.859 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.05 -166.96 26.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 53.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 115.41 4.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 70.14 112.29 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 6' ' ' THR . 71.0 mt -114.39 137.37 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.43 111.19 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.75 120.04 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.05 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -105.85 142.58 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.879 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -94.63 37.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 52.14 110.863 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 65.31 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.48 -170.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 75.42 110.841 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 m -102.41 113.3 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.918 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.463 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.1 pp -133.48 160.2 69.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.598 0.714 . . . . 74.24 111.142 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 150.17 67.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.744 2.296 . . . . 72.44 112.32 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -142.32 177.62 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 73.13 111.097 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p -53.68 -33.56 55.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 63.3 111.193 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -92.29 -24.78 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.84 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.9 -168.58 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.721 . . . . 51.13 112.454 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.41 4.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 71.11 112.319 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.5 mt -119.25 138.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 73.24 111.192 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 m -95.76 99.95 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.28 138.29 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -94.95 35.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.34 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 41.34 110.818 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.525 -0.23 . . . . 73.31 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -147.39 -163.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 73.13 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 m -100.51 111.01 23.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.54 110.898 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.766 . . . . 33.45 111.119 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 152.42 69.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 60.4 112.299 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 p -143.99 176.98 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.21 111.195 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -33.16 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 63.14 111.083 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.4 p -92.19 -23.81 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 63.31 110.821 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.7 -168.61 26.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.844 -0.693 . . . . 75.52 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 115.3 4.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 71.43 112.361 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mm -117.34 138.69 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 70.1 111.085 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.54 102.14 13.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.876 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.4 129.05 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -77.75 -3.33 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.482 -0.247 . . . . 34.12 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.87 -167.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 61.22 110.801 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.5 m -101.99 108.01 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.04 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 159.91 70.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 71.02 111.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.66 68.89 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.659 2.24 . . . . 71.4 112.367 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.44 ' CG2' HG22 ' A' ' 11' ' ' ILE . 8.9 p -143.82 177.5 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 63.42 111.185 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -54.07 -34.06 59.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 72.1 111.145 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.25 -23.7 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 54.23 110.918 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.31 -168.38 26.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 60.54 112.532 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.35 4.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.64 2.226 . . . . 52.11 112.41 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.44 HG22 ' CG2' ' A' ' 6' ' ' THR . 8.2 tp -115.05 134.15 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.4 111.146 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.64 131.3 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.51 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -115.54 144.79 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 65.53 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -95.74 27.09 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.55 110.915 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.86 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.478 -0.249 . . . . 14.34 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.88 -168.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 63.33 110.891 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -102.02 107.94 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 65.31 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.6 159.98 70.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 53.41 111.118 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 149.23 66.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 70.2 112.3 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.603 HG21 HD12 ' A' ' 11' ' ' ILE . 12.0 p -144.39 -173.84 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 71.05 111.166 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.6 p -63.2 -35.63 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.139 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.8 p -92.24 -1.2 57.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.32 -164.65 12.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.814 -0.708 . . . . 63.14 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 115.43 4.09 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 60.42 112.311 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 6' ' ' THR . 65.0 mt -112.93 132.91 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.16 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.77 129.51 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.844 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.76 144.83 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 65.01 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -95.83 27.89 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.842 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 65.45 110.81 179.998 . . . . . . . . 0 0 . 1 stop_ save_