data_2esz_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 2esz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -147.79 145.27 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -111.26 99.41 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.89 107.03 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -121.63 112.36 18.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 15' ' ' PHE . 24.7 mm -107.74 108.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.53 -94.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.68 -169.53 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.455 2.103 . . . . 0.0 112.216 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.67 43.18 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -175.28 37.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.24 136.22 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CD1' HD11 ' A' ' 9' ' ' ILE . 8.3 m-85 -149.99 105.07 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.11 114.94 28.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 p -128.96 96.56 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -145.43 114.53 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.11 117.26 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -94.13 117.67 30.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 mm -127.14 107.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -122.27 134.25 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -139.06 136.87 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.5 -150.72 9.17 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.412 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 59.27 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.591 2.194 . . . . 0.0 112.291 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.86 99.26 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -68.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.64 140.02 24.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CE1' ' CG2' ' A' ' 17' ' ' THR . 1.1 t80 -110.27 98.74 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.3 139.03 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.438 ' CG2' ' CE1' ' A' ' 15' ' ' PHE . 11.5 p -148.95 125.45 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.6 p -150.02 121.92 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.563 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -131.81 156.36 46.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.766 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -138.7 121.6 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.7 mt -132.25 147.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -111.08 98.61 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 pt -145.34 118.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 -94.98 0.75 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.93 -25.02 34.03 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.572 2.181 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.33 67.93 0.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -148.19 -57.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.42 131.71 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -133.34 70.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -89.93 124.79 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 p -104.83 130.1 53.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 p -141.46 124.87 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -114.61 115.98 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.785 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -102.08 113.1 26.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mt -126.22 133.46 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.8 100.29 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.425 HG21 ' CE1' ' A' ' 15' ' ' PHE . 28.7 pt -139.7 141.68 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.71 -82.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.697 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.3 -44.41 4.86 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.672 2.248 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.83 61.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -147.54 -47.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.15 106.31 18.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' CE1' HG21 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -106.76 91.31 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -89.89 109.03 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -111.16 104.69 13.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -131.38 161.26 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 111.525 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.69 117.45 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 124.01 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 7' ' ' ILE . 27.2 mm -132.15 136.56 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -115.74 113.03 22.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.7 mm -133.79 146.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.57 -106.35 0.52 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.15 -25.48 13.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.506 2.137 . . . . 0.0 112.504 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.36 39.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.35 -44.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.0 113.19 24.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.36 90.82 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -112.95 122.55 47.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -124.23 105.28 9.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.4 p -150.19 120.23 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.741 0.305 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 2.3 ttmp? -164.07 156.4 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -135.17 93.86 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -111.61 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -97.17 84.1 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 HD12 ' CZ ' ' A' ' 15' ' ' PHE . 28.7 mm -102.54 138.13 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.45 -144.34 5.94 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.44 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.74 -22.93 42.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.5 2.133 . . . . 0.0 112.39 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.8 75.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -155.5 -48.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.58 136.28 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -138.17 59.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -96.25 130.12 43.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 p -146.25 150.94 36.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -139.89 169.25 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.588 0.233 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -176.14 147.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -118.45 98.82 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 mm -107.0 132.05 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.478 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.76 90.39 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.8 mm -116.84 136.1 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.66 170.66 22.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.94 97.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.533 2.155 . . . . 0.0 112.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.64 -115.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.95 84.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.764 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.92 151.48 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.58 96.56 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.042 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.25 101.79 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 p -111.83 88.07 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.341 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.2 139.71 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.85 0.357 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.69 147.29 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.51 122.51 12.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.657 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mt -135.0 142.81 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -130.73 122.51 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 128.76 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.69 -92.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.636 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.41 -24.04 20.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 21.01 49.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.792 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -112.53 -34.18 5.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.36 133.91 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.29 109.74 19.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -94.73 90.89 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -107.56 110.34 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -145.99 -179.46 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.441 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -85.91 154.13 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -145.83 101.88 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mt -128.55 141.08 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.27 90.88 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.6 mt -110.87 120.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.3 -157.53 7.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 119.43 6.36 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.605 2.204 . . . . 0.0 112.221 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.61 -105.47 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.25 41.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.96 85.98 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.87 82.82 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -101.28 111.4 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -116.14 103.61 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.8 p -135.03 154.5 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.767 0.317 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 145.84 40.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -93.77 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mm -132.87 109.53 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -140.94 104.37 4.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.09 151.99 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 -178.09 15.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.18 82.82 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.578 2.185 . . . . 0.0 112.263 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.7 -102.85 0.17 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.76 43.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.44 97.67 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.58 78.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -96.38 120.1 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -145.94 125.56 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 p -149.97 167.54 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.4 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.563 ' C ' ' HD3' ' A' ' 4' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -138.38 91.49 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 81.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.5 mt -110.65 108.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.236 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.16 112.71 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.44 138.66 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.234 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.62 171.26 13.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.46 89.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.588 2.192 . . . . 0.0 112.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.73 -114.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 99.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.91 130.47 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.81 79.5 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -92.34 130.02 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.54 124.44 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.156 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -122.32 144.69 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.737 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -179.04 157.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -119.16 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.6 mm -122.45 102.02 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -125.86 116.56 21.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG23 HD12 ' A' ' 9' ' ' ILE . 26.1 mt -128.04 131.49 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.97 -164.45 39.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.03 -24.36 33.11 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.597 2.198 . . . . 0.0 112.473 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.25 -114.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.569 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -154.31 88.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.63 110.2 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.51 96.85 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.81 117.57 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -127.13 115.06 18.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -140.73 -165.48 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.699 0.285 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 119.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -143.48 80.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.7 mm -93.71 122.37 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.264 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -129.87 76.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -115.25 150.75 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.01 -150.41 5.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.692 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.57 -20.08 25.8 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.534 2.156 . . . . 0.0 112.603 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.73 -151.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.65 28.68 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . . . -112.5 171.14 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -133.27 87.18 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.031 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -111.21 110.98 21.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -150.05 129.55 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 p -114.38 -168.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.614 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.675 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.835 0.35 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.81 120.77 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 p -105.19 136.69 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.7 mm -130.36 126.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -127.64 94.44 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.37 112.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.25 -172.1 25.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.0 113.31 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.25 94.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.436 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 -164.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -178.08 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.978 0.418 . . . . 0.0 111.677 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CE2' HG23 ' A' ' 17' ' ' THR . 2.4 t80 -106.79 114.78 29.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.735 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.45 106.38 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.439 HG23 ' CE2' ' A' ' 15' ' ' PHE . 7.0 p -132.28 111.71 11.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -131.29 163.3 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.876 0.37 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.95 102.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.13 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -88.6 88.82 7.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mm -105.94 124.12 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.04 141.02 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 mm -126.2 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.231 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.43 149.21 20.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.406 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.54 70.81 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.26 37.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 51.57 43.44 29.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.05 86.75 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.3 137.7 34.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -149.96 128.12 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.2 p -150.14 178.87 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.386 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.834 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.893 0.378 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 135.37 46.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -114.47 122.13 45.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.786 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm -129.79 143.4 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.26 106.15 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 36.6 mt -142.8 118.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.48 -104.15 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.02 -25.4 16.25 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.501 2.134 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.14 44.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -77.08 -58.39 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.76 -171.08 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CZ ' HD13 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -133.67 94.12 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -97.73 114.33 26.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p -122.51 112.67 18.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -133.64 127.67 33.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.514 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.612 0.244 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -42.16 111.53 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.549 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -73.99 102.39 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.0 mm -126.6 120.36 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -148.26 112.7 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.751 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -135.7 163.16 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.85 -155.12 8.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.53 -24.49 26.11 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.203 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.67 -133.81 0.14 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -147.75 72.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.379 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.59 98.0 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.84 102.44 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -102.92 112.67 25.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 p -137.87 117.81 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.79 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.04 153.16 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.845 179.7 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.62 0.248 . . . . 0.0 110.774 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 6.2 ttpt -164.44 115.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -85.95 127.28 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.0 mm -132.06 114.84 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -136.12 95.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -127.85 147.09 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.36 -148.53 24.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 61.63 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.535 2.157 . . . . 0.0 112.253 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.72 104.74 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -173.89 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.44 176.56 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.67 123.9 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.797 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -129.79 112.0 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -137.43 114.62 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -124.71 171.98 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -153.36 78.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 111.274 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.93 61.29 6.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 mm -89.96 116.64 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.339 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -136.67 106.28 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -113.13 158.57 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.81 -129.05 4.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.498 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.9 -23.93 40.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.458 2.105 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.21 76.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.688 0.28 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.82 105.27 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.33 88.06 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.17 134.47 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.007 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -147.06 135.38 21.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.4 p -114.01 162.02 16.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.366 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.325 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 125.56 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -127.0 108.57 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mt -115.88 138.68 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 0.0 111.352 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -114.23 99.14 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.52 134.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.65 -141.2 11.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -51.76 -24.49 18.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.463 2.109 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 84.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.22 -41.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.9 138.59 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.75 78.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.21 125.93 35.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -113.11 99.86 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -150.09 153.17 35.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.593 -179.953 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 102.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -95.82 142.38 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.3 mm -135.08 131.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CE1' ' CB ' ' A' ' 16' ' ' TYR . 8.0 p80 -136.06 134.61 38.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.444 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 25.6 mt -137.9 153.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.95 -177.39 34.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.72 -24.54 34.74 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.507 2.138 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.42 -87.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -177.06 84.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.02 100.16 4.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CE1' ' CD1' ' A' ' 9' ' ' ILE . 9.6 m-85 -89.98 120.91 31.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.43 ' CB ' ' CE1' ' A' ' 8' ' ' HIS . 2.3 m-85 -126.39 111.25 14.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -110.25 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -145.24 144.45 30.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.621 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 106.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.842 0.353 . . . . 0.0 111.109 -179.776 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 111.55 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.23 137.03 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 111.336 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -127.08 117.11 21.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.37 158.92 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.73 -156.76 7.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.02 -24.02 18.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.33 -153.26 7.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -138.29 30.8 2.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.51 131.56 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -104.56 102.6 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.0 106.92 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -115.02 107.36 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -149.99 178.73 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.555 179.968 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 119.5 39.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.838 0.352 . . . . 0.0 110.744 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.09 136.24 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mt -148.83 140.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -130.3 85.55 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.3 pt -117.51 151.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.5 177.92 23.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.18 88.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.574 2.183 . . . . 0.0 112.379 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.18 -119.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -163.21 38.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.3 116.02 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.19 138.98 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -137.12 77.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -99.29 116.91 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.6 t -149.99 163.24 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 179.907 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.8 86.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.453 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.31 110.71 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.358 -179.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.3 mm -140.92 85.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.79 179.593 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.1 144.21 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.6 mm -144.35 142.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.875 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.07 -88.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.68 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.61 -23.56 63.7 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.643 2.229 . . . . 0.0 112.455 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.82 -26.22 25.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -96.12 27.46 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.11 111.54 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.0 85.29 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.31 128.74 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 p -142.08 144.02 33.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -116.83 143.02 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.79 -179.696 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 47.82 93.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -79.05 79.99 5.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 mm -104.88 98.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 125.93 49.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mp -137.65 145.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.7 166.21 21.96 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.27 105.01 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.84 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -120.56 -178.1 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 16' ' ' TYR . . . -91.45 -168.19 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.62 108.23 16.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 11.0 m-85 -115.9 122.82 46.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -139.26 126.83 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 t -122.96 -172.57 2.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.118 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.928 -179.627 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.21 88.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.5 99.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.6 mt -128.66 141.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.82 97.9 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mt -139.65 123.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.8 -76.79 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.02 -24.9 20.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.596 2.198 . . . . 0.0 112.37 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.05 81.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -44.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.53 144.89 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.13 98.95 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -102.56 102.38 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 p -118.69 113.58 21.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 167.51 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.447 -179.932 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -117.19 160.72 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -133.17 120.47 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mm -128.68 120.63 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -149.64 85.09 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.09 -179.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.55 16.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 101.66 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.532 2.154 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.71 -104.22 0.17 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -165.95 32.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.32 164.67 12.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -150.0 126.91 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -127.16 90.65 3.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 p -130.56 113.92 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -136.66 141.61 43.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.804 0.335 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -151.59 90.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.18 107.29 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -135.88 143.29 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -132.04 87.82 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.58 99.89 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.62 -97.72 0.24 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 86.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.85 -123.32 2.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -175.87 52.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.983 0.421 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.12 -175.85 2.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.45 82.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -96.97 93.25 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.2 p -106.68 126.8 52.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 t -144.21 155.74 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.579 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 164.28 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.184 -179.818 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.59 85.86 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.753 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' A' ' 17' ' ' THR . 18.8 mm -90.0 103.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -110.31 86.83 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 15' ' ' PHE . 21.1 mt -141.32 141.28 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.32 -126.81 5.94 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.447 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.87 -24.65 19.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.443 2.095 . . . . 0.0 112.418 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.84 86.6 0.92 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -157.32 -51.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.2 120.6 37.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CD1' HD13 ' A' ' 9' ' ' ILE . 10.6 m-85 -109.08 75.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -123.78 114.1 19.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 HG21 ' CD1' ' A' ' 7' ' ' ILE . 4.8 p -136.37 125.32 24.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.89 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -112.1 -167.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.911 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.945 0.402 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.28 162.05 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.99 82.65 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.9 mm -93.16 105.69 17.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -125.58 95.9 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -117.57 136.84 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.75 178.07 29.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.18 -24.95 21.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.547 2.164 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.0 -128.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.643 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -147.58 40.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 137.21 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -123.5 99.53 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -137.96 119.67 15.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 p -141.92 138.57 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 p -127.14 -162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.577 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.2 130.49 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -147.79 145.27 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -111.26 99.41 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.89 107.03 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -121.63 112.36 18.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 15' ' ' PHE . 24.7 mm -107.74 108.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.53 -94.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.68 -169.53 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.455 2.103 . . . . 0.0 112.216 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.67 43.18 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -175.28 37.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.24 136.22 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CD1' HD11 ' A' ' 9' ' ' ILE . 8.3 m-85 -149.99 105.07 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.11 114.94 28.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 p -128.96 96.56 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -145.43 114.53 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.08 -142.28 3.36 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HG3' HG12 ' A' ' 21' ' ' ILE . 4.5 tp10 -80.16 -83.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.423 HG12 ' HG3' ' A' ' 20' ' ' GLU . 14.6 pt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.424 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.305 0.574 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -94.67 113.8 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.11 117.26 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -94.13 117.67 30.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 mm -127.14 107.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -122.27 134.25 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -139.06 136.87 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.5 -150.72 9.17 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.412 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 59.27 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.591 2.194 . . . . 0.0 112.291 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.86 99.26 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -68.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.64 140.02 24.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CE1' ' CG2' ' A' ' 17' ' ' THR . 1.1 t80 -110.27 98.74 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.3 139.03 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.438 ' CG2' ' CE1' ' A' ' 15' ' ' PHE . 11.5 p -148.95 125.45 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.6 p -150.02 121.92 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.99 -129.97 1.15 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.563 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -175.52 96.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.7 tt . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.1 -173.4 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.097 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -131.81 156.36 46.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.766 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -138.7 121.6 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.7 mt -132.25 147.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -111.08 98.61 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 pt -145.34 118.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 -94.98 0.75 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.93 -25.02 34.03 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.572 2.181 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.33 67.93 0.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -148.19 -57.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.42 131.71 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -133.34 70.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -89.93 124.79 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 p -104.83 130.1 53.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 p -141.46 124.87 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.95 142.19 19.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -106.25 90.88 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.82 -170.43 2.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.385 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -114.61 115.98 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.785 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -102.08 113.1 26.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mt -126.22 133.46 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.8 100.29 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.425 HG21 ' CE1' ' A' ' 15' ' ' PHE . 28.7 pt -139.7 141.68 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.71 -82.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.697 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.3 -44.41 4.86 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.672 2.248 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.83 61.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -147.54 -47.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.15 106.31 18.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' CE1' HG21 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -106.76 91.31 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -89.89 109.03 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -111.16 104.69 13.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -131.38 161.26 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.65 165.03 36.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -118.23 58.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.225 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.233 0.187 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 143.95 26.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.525 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.69 117.45 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 124.01 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 7' ' ' ILE . 27.2 mm -132.15 136.56 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -115.74 113.03 22.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.7 mm -133.79 146.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.57 -106.35 0.52 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.15 -25.48 13.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.506 2.137 . . . . 0.0 112.504 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.36 39.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.35 -44.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.0 113.19 24.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.36 90.82 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -112.95 122.55 47.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -124.23 105.28 9.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.4 p -150.19 120.23 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.33 141.28 46.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.8 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -140.57 -43.5 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 2.3 ttmp? -164.07 156.4 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -135.17 93.86 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -111.61 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -97.17 84.1 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 HD12 ' CZ ' ' A' ' 15' ' ' PHE . 28.7 mm -102.54 138.13 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.45 -144.34 5.94 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.44 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.74 -22.93 42.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.5 2.133 . . . . 0.0 112.39 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.8 75.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -155.5 -48.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.58 136.28 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -138.17 59.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -96.25 130.12 43.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 p -146.25 150.94 36.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -139.89 169.25 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.15 -151.97 1.82 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.8 151.34 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 mm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.671 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 121.046 0.451 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' HG2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.15 -163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.848 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -176.14 147.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -118.45 98.82 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 mm -107.0 132.05 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.478 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.76 90.39 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.8 mm -116.84 136.1 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.66 170.66 22.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.94 97.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.533 2.155 . . . . 0.0 112.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.64 -115.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.95 84.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.764 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.92 151.48 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.58 96.56 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.042 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.25 101.79 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 p -111.83 88.07 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.341 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.2 139.71 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.63 -65.37 0.26 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -136.5 -91.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.379 0.133 . . . . 0.0 110.837 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.329 -0.309 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.636 179.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 175.79 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.086 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.69 147.29 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.51 122.51 12.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.657 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mt -135.0 142.81 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -130.73 122.51 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 128.76 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.69 -92.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.636 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.41 -24.04 20.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 21.01 49.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.792 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -112.53 -34.18 5.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.36 133.91 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.29 109.74 19.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -94.73 90.89 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -107.56 110.34 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -145.99 -179.46 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.2 178.22 44.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.98 101.26 4.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.927 0.394 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.29 159.27 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -85.91 154.13 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -145.83 101.88 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mt -128.55 141.08 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.27 90.88 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.6 mt -110.87 120.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.3 -157.53 7.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 119.43 6.36 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.605 2.204 . . . . 0.0 112.221 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.61 -105.47 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.25 41.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.96 85.98 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.87 82.82 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -101.28 111.4 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -116.14 103.61 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.8 p -135.03 154.5 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 158.94 35.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -125.17 105.38 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.096 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.174 0.512 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.96 -178.12 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.038 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 145.84 40.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -93.77 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mm -132.87 109.53 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -140.94 104.37 4.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.09 151.99 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 -178.09 15.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.18 82.82 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.578 2.185 . . . . 0.0 112.263 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.7 -102.85 0.17 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.76 43.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.44 97.67 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.58 78.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -96.38 120.1 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -145.94 125.56 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 p -149.97 167.54 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.79 140.72 22.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.4 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -113.95 99.11 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.348 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.027 0.442 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.563 ' C ' ' HD3' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -150.12 170.26 19.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.916 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -138.38 91.49 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 81.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.5 mt -110.65 108.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.236 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.16 112.71 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.44 138.66 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.234 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.62 171.26 13.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.46 89.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.588 2.192 . . . . 0.0 112.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.73 -114.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 99.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.91 130.47 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.81 79.5 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -92.34 130.02 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.54 124.44 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.156 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -122.32 144.69 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.7 153.01 21.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.737 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -178.2 137.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.95 22.37 10.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -179.04 157.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -119.16 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.6 mm -122.45 102.02 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -125.86 116.56 21.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG23 HD12 ' A' ' 9' ' ' ILE . 26.1 mt -128.04 131.49 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.97 -164.45 39.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.03 -24.36 33.11 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.597 2.198 . . . . 0.0 112.473 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.25 -114.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.569 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -154.31 88.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.63 110.2 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.51 96.85 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.81 117.57 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -127.13 115.06 18.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -140.73 -165.48 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.63 158.23 7.95 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -66.0 -172.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.1 -31.71 4.95 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.059 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 119.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -143.48 80.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.7 mm -93.71 122.37 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.264 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -129.87 76.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -115.25 150.75 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.01 -150.41 5.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.692 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.57 -20.08 25.8 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.534 2.156 . . . . 0.0 112.603 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.73 -151.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.65 28.68 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' CE2' ' A' ' 16' ' ' TYR . . . -112.5 171.14 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -133.27 87.18 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.031 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -111.21 110.98 21.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -150.05 129.55 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 p -114.38 -168.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.614 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.58 -172.44 41.25 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.675 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -121.07 -176.54 3.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.16 -167.17 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.81 120.77 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 p -105.19 136.69 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.7 mm -130.36 126.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -127.64 94.44 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.37 112.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.25 -172.1 25.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.0 113.31 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.25 94.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.436 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 -164.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -178.08 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.978 0.418 . . . . 0.0 111.677 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CE2' HG23 ' A' ' 17' ' ' THR . 2.4 t80 -106.79 114.78 29.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.735 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.45 106.38 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.439 HG23 ' CE2' ' A' ' 15' ' ' PHE . 7.0 p -132.28 111.71 11.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -131.29 163.3 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.55 -151.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -79.47 159.24 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.05 0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 4.7 t . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.605 0.24 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -103.95 159.32 15.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.876 0.37 . . . . 0.0 111.062 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.95 102.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.13 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -88.6 88.82 7.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mm -105.94 124.12 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.04 141.02 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 mm -126.2 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.231 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.43 149.21 20.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.406 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.54 70.81 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.26 37.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 51.57 43.44 29.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.05 86.75 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.3 137.7 34.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -149.96 128.12 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.2 p -150.14 178.87 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.27 -169.03 0.04 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.834 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.1 tp10 -148.35 -80.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.721 0.295 . . . . 0.0 111.139 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 3' ' ' THR . 24.3 mm . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.165 0.507 . . . . 0.0 110.665 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -119.96 -169.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.97 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 135.37 46.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -114.47 122.13 45.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.786 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm -129.79 143.4 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.26 106.15 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 36.6 mt -142.8 118.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.48 -104.15 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.02 -25.4 16.25 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.501 2.134 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.14 44.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -77.08 -58.39 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.76 -171.08 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CZ ' HD13 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -133.67 94.12 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -97.73 114.33 26.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p -122.51 112.67 18.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -133.64 127.67 33.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.02 147.35 39.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.41 51.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 mtt180 -118.39 49.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.349 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -42.16 111.53 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.549 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -73.99 102.39 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.0 mm -126.6 120.36 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -148.26 112.7 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.751 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -135.7 163.16 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.85 -155.12 8.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.53 -24.49 26.11 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.203 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.67 -133.81 0.14 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -147.75 72.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.379 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.59 98.0 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.84 102.44 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -102.92 112.67 25.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 p -137.87 117.81 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.79 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.04 153.16 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.32 158.55 0.01 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.845 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER 63.74 136.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.462 0.161 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.27 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -136.46 -40.07 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 6.2 ttpt -164.44 115.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -85.95 127.28 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.0 mm -132.06 114.84 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -136.12 95.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -127.85 147.09 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.36 -148.53 24.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 61.63 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.535 2.157 . . . . 0.0 112.253 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.72 104.74 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -173.89 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.44 176.56 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.67 123.9 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.797 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -129.79 112.0 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -137.43 114.62 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -124.71 171.98 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.53 -148.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -110.15 177.52 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 110.772 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.307 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 21' ' ' ILE . 1.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.331 0.586 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.462 ' HG2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -150.32 -169.52 3.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.046 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -153.36 78.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 111.274 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.93 61.29 6.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 mm -89.96 116.64 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.339 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -136.67 106.28 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -113.13 158.57 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.81 -129.05 4.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.498 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.9 -23.93 40.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.458 2.105 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.21 76.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.688 0.28 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.82 105.27 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.33 88.06 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.17 134.47 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.007 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -147.06 135.38 21.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.4 p -114.01 162.02 16.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.77 164.19 12.6 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.325 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' CB ' ' HG2' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -164.21 -163.72 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 110.643 -179.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.475 ' HA ' HG22 ' A' ' 3' ' ' THR . 26.9 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.416 ' HG2' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -104.28 152.32 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 125.56 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -127.0 108.57 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mt -115.88 138.68 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 0.0 111.352 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -114.23 99.14 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.52 134.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.65 -141.2 11.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -51.76 -24.49 18.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.463 2.109 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 84.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.22 -41.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.9 138.59 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.75 78.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.21 125.93 35.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -113.11 99.86 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -150.09 153.17 35.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.44 -96.07 0.15 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.593 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 2.3 mm-40 -123.66 163.75 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.195 0.521 . . . . 0.0 111.024 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.939 0.399 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -149.91 -165.74 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 102.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -95.82 142.38 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.3 mm -135.08 131.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CE1' ' CB ' ' A' ' 16' ' ' TYR . 8.0 p80 -136.06 134.61 38.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.444 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 25.6 mt -137.9 153.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.95 -177.39 34.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.72 -24.54 34.74 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.507 2.138 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.42 -87.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -177.06 84.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.02 100.16 4.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CE1' ' CD1' ' A' ' 9' ' ' ILE . 9.6 m-85 -89.98 120.91 31.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' CB ' ' CE1' ' A' ' 8' ' ' HIS . 2.3 m-85 -126.39 111.25 14.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -110.25 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -145.24 144.45 30.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.96 -162.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.621 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.72 -169.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.272 -179.893 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.706 0.289 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.6 0.23 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.118 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 57.63 106.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.842 0.353 . . . . 0.0 111.109 -179.776 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 111.55 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.23 137.03 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 111.336 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -127.08 117.11 21.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.37 158.92 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.73 -156.76 7.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.02 -24.02 18.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.33 -153.26 7.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -138.29 30.8 2.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.51 131.56 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -104.56 102.6 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.0 106.92 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -115.02 107.36 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -149.99 178.73 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.34 171.96 0.14 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.555 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 1.8 mm-40 57.3 167.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.667 0.27 . . . . 0.0 110.564 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 C--N 1.332 -0.175 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -179.66 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -100.16 -160.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 119.5 39.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.838 0.352 . . . . 0.0 110.744 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.09 136.24 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mt -148.83 140.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -130.3 85.55 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.3 pt -117.51 151.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.5 177.92 23.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.18 88.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.574 2.183 . . . . 0.0 112.379 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.18 -119.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -163.21 38.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.3 116.02 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.19 138.98 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -137.12 77.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -99.29 116.91 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.6 t -149.99 163.24 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.82 135.31 15.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.71 75.4 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.952 0.405 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -146.17 1.93 0.87 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.048 -178.833 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 58.8 86.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.453 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.31 110.71 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.358 -179.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.3 mm -140.92 85.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.79 179.593 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.1 144.21 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.6 mm -144.35 142.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.875 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.07 -88.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.68 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.61 -23.56 63.7 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.643 2.229 . . . . 0.0 112.455 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.82 -26.22 25.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -96.12 27.46 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.11 111.54 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.0 85.29 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.31 128.74 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 p -142.08 144.02 33.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -116.83 143.02 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 125.89 25.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.79 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 4.0 mm-40 -120.13 157.07 29.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.4 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.937 0.398 . . . . 0.0 111.333 -179.421 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 120.87 7.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.475 -179.879 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 47.82 93.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -79.05 79.99 5.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 mm -104.88 98.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 125.93 49.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mp -137.65 145.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.7 166.21 21.96 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.27 105.01 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.84 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -120.56 -178.1 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 16' ' ' TYR . . . -91.45 -168.19 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.62 108.23 16.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 11.0 m-85 -115.9 122.82 46.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -139.26 126.83 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 t -122.96 -172.57 2.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.118 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.5 -159.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.928 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.15 -71.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 111.178 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.428 179.707 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.51 124.88 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.21 88.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.5 99.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.6 mt -128.66 141.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.82 97.9 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mt -139.65 123.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.8 -76.79 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.02 -24.9 20.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.596 2.198 . . . . 0.0 112.37 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.05 81.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -44.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.53 144.89 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.13 98.95 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -102.56 102.38 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 p -118.69 113.58 21.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 167.51 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.63 -151.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.447 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -98.58 -178.06 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.74 0.305 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 163.91 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -117.19 160.72 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -133.17 120.47 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mm -128.68 120.63 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -149.64 85.09 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.09 -179.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.55 16.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 101.66 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.532 2.154 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.71 -104.22 0.17 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -165.95 32.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.32 164.67 12.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -150.0 126.91 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -127.16 90.65 3.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 p -130.56 113.92 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -136.66 141.61 43.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.24 155.96 52.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.55 128.64 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.1 tt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.75 -40.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.205 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -151.59 90.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.18 107.29 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -135.88 143.29 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -132.04 87.82 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.58 99.89 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.62 -97.72 0.24 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 86.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.85 -123.32 2.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -175.87 52.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.983 0.421 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.12 -175.85 2.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.45 82.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -96.97 93.25 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.2 p -106.68 126.8 52.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 t -144.21 155.74 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.39 -165.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.579 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -76.8 175.97 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.796 0.331 . . . . 0.0 110.665 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.255 179.966 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.868 0.366 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 158.19 17.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 -179.702 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 164.28 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.184 -179.818 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.59 85.86 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.753 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' A' ' 17' ' ' THR . 18.8 mm -90.0 103.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -110.31 86.83 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 15' ' ' PHE . 21.1 mt -141.32 141.28 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.32 -126.81 5.94 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.447 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.87 -24.65 19.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.443 2.095 . . . . 0.0 112.418 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.84 86.6 0.92 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -157.32 -51.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.2 120.6 37.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CD1' HD13 ' A' ' 9' ' ' ILE . 10.6 m-85 -109.08 75.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -123.78 114.1 19.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 HG21 ' CD1' ' A' ' 7' ' ' ILE . 4.8 p -136.37 125.32 24.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.89 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -112.1 -167.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.62 175.84 20.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.52 129.96 56.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.889 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.118 0.485 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.96 58.94 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.973 -179.142 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.28 162.05 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.99 82.65 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.9 mm -93.16 105.69 17.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -125.58 95.9 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -117.57 136.84 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.75 178.07 29.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.18 -24.95 21.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.547 2.164 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.0 -128.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.643 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -147.58 40.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 137.21 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -123.5 99.53 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -137.96 119.67 15.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 p -141.92 138.57 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 p -127.14 -162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.46 174.55 28.76 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.577 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.35 91.71 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.032 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -147.79 145.27 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -111.26 99.41 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.89 107.03 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -121.63 112.36 18.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 15' ' ' PHE . 24.7 mm -107.74 108.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.53 -94.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.68 -169.53 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.455 2.103 . . . . 0.0 112.216 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.67 43.18 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -175.28 37.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.24 136.22 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.48 ' CD1' HD12 ' A' ' 9' ' ' ILE . 8.3 m-85 -149.99 105.07 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.11 114.94 28.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 p -128.96 96.56 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -145.43 114.53 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.876 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.634 ' CD ' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -166.11 117.26 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.501 ' O ' HD13 ' A' ' 7' ' ' ILE . 90.5 p -94.13 117.67 30.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 9' ' ' ILE . 47.2 mm -127.14 107.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.651 ' C ' HD12 ' A' ' 9' ' ' ILE . 24.7 m80 -122.27 134.25 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 7' ' ' ILE . 3.3 mp -139.06 136.87 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.5 -150.72 9.17 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.412 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 59.27 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.591 2.194 . . . . 0.0 112.291 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.86 99.26 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -68.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.64 140.02 24.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE1' HG23 ' A' ' 7' ' ' ILE . 1.1 t80 -110.27 98.74 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.3 139.03 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.438 ' CG2' ' CE1' ' A' ' 15' ' ' PHE . 11.5 p -148.95 125.45 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.6 p -150.02 121.92 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.563 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -131.81 156.36 46.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.766 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -138.7 121.6 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 16' ' ' TYR . 16.7 mt -132.25 147.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -111.08 98.61 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 14' ' ' ALA . 11.9 pt -145.34 118.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 -94.98 0.75 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.93 -25.02 34.03 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.572 2.181 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.33 67.93 0.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -148.19 -57.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -91.42 131.71 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -133.34 70.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 7' ' ' ILE . 21.9 m-85 -89.93 124.79 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 p -104.83 130.1 53.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 p -141.46 124.87 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HD3' HD11 ' A' ' 7' ' ' ILE . 1.4 mttp -114.61 115.98 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -102.08 113.1 26.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.575 HD11 ' HD3' ' A' ' 5' ' ' LYS . 8.6 mt -126.22 133.46 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.8 100.29 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 15' ' ' PHE . 28.7 pt -139.7 141.68 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.71 -82.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.697 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.3 -44.41 4.86 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.672 2.248 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.83 61.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -147.54 -47.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -98.15 106.31 18.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -106.76 91.31 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -89.89 109.03 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -111.16 104.69 13.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -131.38 161.26 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 111.525 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.69 117.45 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 124.01 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.419 HG22 HG12 ' A' ' 9' ' ' ILE . 27.2 mm -132.15 136.56 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.709 ' O ' HD13 ' A' ' 9' ' ' ILE . 73.5 m-70 -115.74 113.03 22.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.709 HD13 ' O ' ' A' ' 8' ' ' HIS . 25.7 mm -133.79 146.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.57 -106.35 0.52 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.15 -25.48 13.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.506 2.137 . . . . 0.0 112.504 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.36 39.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.35 -44.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.0 113.19 24.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.36 90.82 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -112.95 122.55 47.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -124.23 105.28 9.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.4 p -150.19 120.23 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.741 0.305 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HD3' HD11 ' A' ' 7' ' ' ILE . 2.3 ttmp? -164.07 156.4 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -135.17 93.86 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.798 HG22 HG12 ' A' ' 9' ' ' ILE . 27.1 mm -111.61 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -97.17 84.1 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.798 HG12 HG22 ' A' ' 7' ' ' ILE . 28.7 mm -102.54 138.13 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.45 -144.34 5.94 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.44 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.74 -22.93 42.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.5 2.133 . . . . 0.0 112.39 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.8 75.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -155.5 -48.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.58 136.28 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.17 59.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -96.25 130.12 43.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 p -146.25 150.94 36.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -139.89 169.25 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.588 0.233 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.897 ' HE2' HD11 ' A' ' 7' ' ' ILE . 8.1 tttt -176.14 147.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -118.45 98.82 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.897 HD11 ' HE2' ' A' ' 5' ' ' LYS . 32.2 mm -107.0 132.05 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.478 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.76 90.39 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.718 HG12 HG22 ' A' ' 7' ' ' ILE . 20.8 mm -116.84 136.1 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.66 170.66 22.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.94 97.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.533 2.155 . . . . 0.0 112.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.64 -115.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.95 84.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.764 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 9' ' ' ILE . . . -137.92 151.48 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.58 96.56 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.042 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.25 101.79 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.467 ' HA ' HD13 ' A' ' 7' ' ' ILE . 11.4 p -111.83 88.07 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.341 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.2 139.71 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.85 0.357 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.748 ' NZ ' HD11 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -105.69 147.29 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.51 122.51 12.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.657 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.748 HD11 ' NZ ' ' A' ' 5' ' ' LYS . 29.0 mt -135.0 142.81 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -130.73 122.51 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 128.76 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.69 -92.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.636 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.41 -24.04 20.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 21.01 49.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.792 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -112.53 -34.18 5.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.36 133.91 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.548 ' HE1' HG21 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -111.29 109.74 19.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.718 ' O ' HG23 ' A' ' 7' ' ' ILE . 43.9 m-85 -94.73 90.89 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -107.56 110.34 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -145.99 -179.46 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.441 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -85.91 154.13 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -145.83 101.88 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.769 HG23 ' O ' ' A' ' 16' ' ' TYR . 19.8 mt -128.55 141.08 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.27 90.88 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.567 HG13 HG22 ' A' ' 7' ' ' ILE . 30.6 mt -110.87 120.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.3 -157.53 7.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 119.43 6.36 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.605 2.204 . . . . 0.0 112.221 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.61 -105.47 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.25 41.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.96 85.98 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.87 82.82 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -101.28 111.4 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -116.14 103.61 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.8 p -135.03 154.5 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.767 0.317 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -113.46 145.84 40.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.752 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.9 p -93.77 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 6' ' ' SER . 34.8 mm -132.87 109.53 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -140.94 104.37 4.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 14' ' ' ALA . 3.0 mt -125.09 151.99 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 -178.09 15.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.18 82.82 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.578 2.185 . . . . 0.0 112.263 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.7 -102.85 0.17 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.76 43.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -108.44 97.67 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.58 78.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -96.38 120.1 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -145.94 125.56 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 p -149.97 167.54 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.4 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.557 ' C ' ' HD3' ' A' ' 4' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.648 ' HD2' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -138.38 91.49 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 81.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.705 HG22 HD11 ' A' ' 9' ' ' ILE . 42.5 mt -110.65 108.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.236 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.16 112.71 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.705 HD11 HG22 ' A' ' 7' ' ' ILE . 4.0 mp -114.44 138.66 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.234 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.62 171.26 13.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.46 89.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.588 2.192 . . . . 0.0 112.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.73 -114.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 99.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.574 ' HB1' ' HE1' ' A' ' 16' ' ' TYR . . . -149.91 130.47 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.81 79.5 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' HE1' ' HB1' ' A' ' 14' ' ' ALA . 74.0 m-85 -92.34 130.02 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.54 124.44 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.156 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -122.32 144.69 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.737 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -179.04 157.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.488 ' O ' HD13 ' A' ' 7' ' ' ILE . 11.7 t -119.16 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.488 HD13 ' O ' ' A' ' 6' ' ' SER . 37.6 mm -122.45 102.02 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -125.86 116.56 21.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.43 HD11 ' CE1' ' A' ' 15' ' ' PHE . 26.1 mt -128.04 131.49 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.97 -164.45 39.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.03 -24.36 33.11 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.597 2.198 . . . . 0.0 112.473 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.25 -114.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.569 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -154.31 88.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.63 110.2 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -103.51 96.85 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.81 117.57 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -127.13 115.06 18.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -140.73 -165.48 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 6' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.699 0.285 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 119.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 53.9 p -143.48 80.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.515 HD13 HG21 ' A' ' 17' ' ' THR . 15.7 mm -93.71 122.37 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -129.87 76.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -115.25 150.75 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.01 -150.41 5.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.692 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.57 -20.08 25.8 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.534 2.156 . . . . 0.0 112.603 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.73 -151.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.65 28.68 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . -112.5 171.14 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -133.27 87.18 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.031 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -111.21 110.98 21.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.515 HG21 HD13 ' A' ' 7' ' ' ILE . 5.4 p -150.05 129.55 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 p -114.38 -168.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.614 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.675 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.835 0.35 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.81 120.77 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 p -105.19 136.69 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 HG22 ' A' ' 17' ' ' THR . 38.7 mm -130.36 126.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -127.64 94.44 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.37 112.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.25 -172.1 25.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.0 113.31 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.25 94.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.436 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 -164.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -178.08 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.978 0.418 . . . . 0.0 111.677 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 17' ' ' THR . 2.4 t80 -106.79 114.78 29.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.735 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.45 106.38 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.462 HG21 ' CE2' ' A' ' 15' ' ' PHE . 7.0 p -132.28 111.71 11.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -131.29 163.3 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.876 0.37 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.858 ' HE3' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 65.95 102.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.13 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -88.6 88.82 7.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.858 HD11 ' HE3' ' A' ' 5' ' ' LYS . 40.5 mm -105.94 124.12 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.04 141.02 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 mm -126.2 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.231 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 11' ' ' PRO . . . -140.43 149.21 20.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.406 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 22.8 Cg_exo -64.54 70.81 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.26 37.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 51.57 43.44 29.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.05 86.75 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.3 137.7 34.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -149.96 128.12 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.2 p -150.14 178.87 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.386 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.834 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.893 0.378 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 135.37 46.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -114.47 122.13 45.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.786 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.492 HG22 HG13 ' A' ' 9' ' ' ILE . 27.5 mm -129.79 143.4 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.25 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.26 106.15 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 7' ' ' ILE . 36.6 mt -142.8 118.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.48 -104.15 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.02 -25.4 16.25 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.501 2.134 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.14 44.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -77.08 -58.39 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.76 -171.08 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.67 94.12 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -97.73 114.33 26.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p -122.51 112.67 18.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -133.64 127.67 33.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.514 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.612 0.244 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CG ' HD11 ' A' ' 7' ' ' ILE . 1.3 tttt -42.16 111.53 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.549 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.576 ' O ' HD13 ' A' ' 7' ' ' ILE . 1.1 m -73.99 102.39 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 6' ' ' SER . 35.0 mm -126.6 120.36 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -148.26 112.7 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.751 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.686 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -135.7 163.16 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.85 -155.12 8.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.53 -24.49 26.11 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.203 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.67 -133.81 0.14 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -147.75 72.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.379 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -135.59 98.0 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' CD1' HG21 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -89.84 102.44 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -102.92 112.67 25.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 7' ' ' ILE . 10.2 p -137.87 117.81 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.04 153.16 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.845 179.7 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.62 0.248 . . . . 0.0 110.774 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 7' ' ' ILE . 6.2 ttpt -164.44 115.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.763 ' O ' HD13 ' A' ' 7' ' ' ILE . 26.6 t -85.95 127.28 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 6' ' ' SER . 35.0 mm -132.06 114.84 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -136.12 95.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 15' ' ' PHE . 2.5 mt -127.85 147.09 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.36 -148.53 24.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 61.63 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.535 2.157 . . . . 0.0 112.253 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.72 104.74 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -173.89 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -126.44 176.56 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.67 123.9 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.797 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -129.79 112.0 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -137.43 114.62 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -124.71 171.98 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -153.36 78.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 111.274 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.93 61.29 6.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 mm -89.96 116.64 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.339 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -136.67 106.28 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 10' ' ' GLY . 21.9 mt -113.13 158.57 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -113.81 -129.05 4.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.498 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.9 -23.93 40.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.458 2.105 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.21 76.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.688 0.28 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.82 105.27 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.33 88.06 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.17 134.47 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.007 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -147.06 135.38 21.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.4 p -114.01 162.02 16.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.366 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.325 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 125.56 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -127.0 108.57 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.616 ' CG2' HD11 ' A' ' 9' ' ' ILE . 3.9 mt -115.88 138.68 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 0.0 111.352 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -114.23 99.14 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 7' ' ' ILE . 1.5 mp -120.52 134.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.65 -141.2 11.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -51.76 -24.49 18.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.463 2.109 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 84.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.22 -41.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.9 138.59 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.75 78.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.21 125.93 35.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -113.11 99.86 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -150.09 153.17 35.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.593 -179.953 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.837 ' HE2' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -58.44 102.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -95.82 142.38 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.837 HD11 ' HE2' ' A' ' 5' ' ' LYS . 29.3 mm -135.08 131.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -136.06 134.61 38.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 14' ' ' ALA . 25.6 mt -137.9 153.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.95 -177.39 34.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.72 -24.54 34.74 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.507 2.138 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.42 -87.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -177.06 84.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -137.02 100.16 4.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 9' ' ' ILE . 9.6 m-85 -89.98 120.91 31.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -126.39 111.25 14.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -110.25 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -145.24 144.45 30.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.621 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 106.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.842 0.353 . . . . 0.0 111.109 -179.776 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 111.55 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.568 HG22 HD11 ' A' ' 9' ' ' ILE . 3.5 mt -125.23 137.03 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 111.336 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -127.08 117.11 21.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 7' ' ' ILE . 3.6 mp -125.37 158.92 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.232 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -145.73 -156.76 7.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.02 -24.02 18.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.33 -153.26 7.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -138.29 30.8 2.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.51 131.56 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -104.56 102.6 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.0 106.92 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -115.02 107.36 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -149.99 178.73 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.555 179.968 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 119.5 39.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.838 0.352 . . . . 0.0 110.744 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.09 136.24 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' TYR . 34.3 mt -148.83 140.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -130.3 85.55 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 14' ' ' ALA . 11.3 pt -117.51 151.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.5 177.92 23.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.18 88.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.574 2.183 . . . . 0.0 112.379 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.18 -119.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -163.21 38.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -120.3 116.02 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.19 138.98 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 7' ' ' ILE . 9.5 m-85 -137.12 77.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -99.29 116.91 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.6 t -149.99 163.24 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 179.907 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.8 86.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.453 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.584 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -61.31 110.71 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.358 -179.569 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 6' ' ' SER . 28.3 mm -140.92 85.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.79 179.593 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.704 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -100.1 144.21 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.655 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 8' ' ' HIS . 24.6 mm -144.35 142.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.875 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.07 -88.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.68 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.61 -23.56 63.7 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.643 2.229 . . . . 0.0 112.455 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.82 -26.22 25.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -96.12 27.46 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.11 111.54 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -119.0 85.29 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.31 128.74 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 p -142.08 144.02 33.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -116.83 143.02 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.79 -179.696 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 47.82 93.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.551 ' CB ' HG22 ' A' ' 18' ' ' THR . 6.3 m -79.05 79.99 5.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.533 HG22 HD11 ' A' ' 9' ' ' ILE . 36.1 mm -104.88 98.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 125.93 49.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 HG22 ' A' ' 7' ' ' ILE . 3.9 mp -137.65 145.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.7 166.21 21.96 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.27 105.01 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.84 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -120.56 -178.1 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.632 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -91.45 -168.19 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.62 108.23 16.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.632 ' CZ ' ' HB3' ' A' ' 14' ' ' ALA . 11.0 m-85 -115.9 122.82 46.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -139.26 126.83 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.551 HG22 ' CB ' ' A' ' 6' ' ' SER . 10.8 t -122.96 -172.57 2.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.928 -179.627 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.762 ' HD2' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 54.21 88.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.5 99.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.762 HD11 ' HD2' ' A' ' 5' ' ' LYS . 47.6 mt -128.66 141.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.82 97.9 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.431 HG13 HG22 ' A' ' 7' ' ' ILE . 32.1 mt -139.65 123.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.8 -76.79 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.02 -24.9 20.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.596 2.198 . . . . 0.0 112.37 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.05 81.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -44.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.53 144.89 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.13 98.95 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 7' ' ' ILE . 13.0 m-85 -102.56 102.38 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 p -118.69 113.58 21.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 167.51 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.447 -179.932 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -117.19 160.72 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HD13 ' A' ' 7' ' ' ILE . 1.2 t -133.17 120.47 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.523 HD12 HG22 ' A' ' 17' ' ' THR . 36.8 mm -128.68 120.63 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.282 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -149.64 85.09 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.646 HG21 ' HA ' ' A' ' 15' ' ' PHE . 5.4 pt -129.09 -179.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.55 16.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 101.66 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.532 2.154 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.71 -104.22 0.17 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -165.95 32.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.32 164.67 12.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.646 ' HA ' HG21 ' A' ' 9' ' ' ILE . 3.5 m-85 -150.0 126.91 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' HD1' HG22 ' A' ' 9' ' ' ILE . 54.1 m-85 -127.16 90.65 3.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 HD12 ' A' ' 7' ' ' ILE . 5.5 p -130.56 113.92 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -136.66 141.61 43.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.804 0.335 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CD ' HD11 ' A' ' 7' ' ' ILE . 3.6 ttmt -151.59 90.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.757 ' O ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -76.18 107.29 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 16' ' ' TYR . 34.6 mt -135.88 143.29 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -132.04 87.82 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.58 99.89 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.62 -97.72 0.24 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 86.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.85 -123.32 2.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -175.87 52.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.983 0.421 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.12 -175.85 2.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CD1' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER -147.45 82.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 7' ' ' ILE . 10.9 m-85 -96.97 93.25 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 15' ' ' PHE . 52.2 p -106.68 126.8 52.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 6' ' ' SER . 9.5 t -144.21 155.74 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.579 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.609 ' CE ' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -70.43 164.28 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.184 -179.818 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -139.59 85.86 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.753 179.899 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.609 HD11 ' CE ' ' A' ' 5' ' ' LYS . 18.8 mm -90.0 103.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -110.31 86.83 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.459 HD13 ' CD1' ' A' ' 15' ' ' PHE . 21.1 mt -141.32 141.28 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.32 -126.81 5.94 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.447 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.87 -24.65 19.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.443 2.095 . . . . 0.0 112.418 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.84 86.6 0.92 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -157.32 -51.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.2 120.6 37.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CD1' HD13 ' A' ' 9' ' ' ILE . 10.6 m-85 -109.08 75.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -123.78 114.1 19.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.537 HG21 HD13 ' A' ' 7' ' ' ILE . 4.8 p -136.37 125.32 24.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.89 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -112.1 -167.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.911 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.945 0.402 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.28 162.05 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.99 82.65 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.408 HD13 ' CG2' ' A' ' 17' ' ' THR . 33.9 mm -93.16 105.69 17.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -125.58 95.9 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 14' ' ' ALA . 4.7 mt -117.57 136.84 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.75 178.07 29.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.18 -24.95 21.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.547 2.164 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.0 -128.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.643 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -147.58 40.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -89.92 137.21 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -123.5 99.53 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -137.96 119.67 15.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.408 ' CG2' HD13 ' A' ' 7' ' ' ILE . 10.6 p -141.92 138.57 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 p -127.14 -162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.577 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.2 130.49 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -147.79 145.27 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -111.26 99.41 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.89 107.03 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -121.63 112.36 18.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 15' ' ' PHE . 24.7 mm -107.74 108.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.53 -94.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.68 -169.53 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.455 2.103 . . . . 0.0 112.216 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.67 43.18 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -175.28 37.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.24 136.22 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.48 ' CD1' HD12 ' A' ' 9' ' ' ILE . 8.3 m-85 -149.99 105.07 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.11 114.94 28.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 p -128.96 96.56 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -145.43 114.53 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.08 -142.28 3.36 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HG3' HG12 ' A' ' 21' ' ' ILE . 4.5 tp10 -80.16 -83.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.435 HG12 ' HG3' ' A' ' 20' ' ' GLU . 14.6 pt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.424 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.305 0.574 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -94.67 113.8 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.634 ' CD ' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -166.11 117.26 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.501 ' O ' HD13 ' A' ' 7' ' ' ILE . 90.5 p -94.13 117.67 30.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 9' ' ' ILE . 47.2 mm -127.14 107.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.651 ' C ' HD12 ' A' ' 9' ' ' ILE . 24.7 m80 -122.27 134.25 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 7' ' ' ILE . 3.3 mp -139.06 136.87 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.5 -150.72 9.17 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.412 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 59.27 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.591 2.194 . . . . 0.0 112.291 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.86 99.26 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -68.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.64 140.02 24.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE1' HG23 ' A' ' 7' ' ' ILE . 1.1 t80 -110.27 98.74 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.3 139.03 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.438 ' CG2' ' CE1' ' A' ' 15' ' ' PHE . 11.5 p -148.95 125.45 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.6 p -150.02 121.92 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.99 -129.97 1.15 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.563 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -175.52 96.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' ILE . 11.7 tt . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.1 -173.4 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.097 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -131.81 156.36 46.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.766 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -138.7 121.6 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 16' ' ' TYR . 16.7 mt -132.25 147.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -111.08 98.61 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 14' ' ' ALA . 11.9 pt -145.34 118.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 -94.98 0.75 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.93 -25.02 34.03 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.572 2.181 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.33 67.93 0.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -148.19 -57.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -91.42 131.71 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -133.34 70.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 7' ' ' ILE . 21.9 m-85 -89.93 124.79 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 p -104.83 130.1 53.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 p -141.46 124.87 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.95 142.19 19.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -106.25 90.88 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.82 -170.43 2.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.385 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HD3' HD11 ' A' ' 7' ' ' ILE . 1.4 mttp -114.61 115.98 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -102.08 113.1 26.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.575 HD11 ' HD3' ' A' ' 5' ' ' LYS . 8.6 mt -126.22 133.46 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.8 100.29 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 15' ' ' PHE . 28.7 pt -139.7 141.68 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.71 -82.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.697 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.3 -44.41 4.86 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.672 2.248 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.83 61.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -147.54 -47.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -98.15 106.31 18.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -106.76 91.31 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -89.89 109.03 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -111.16 104.69 13.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -131.38 161.26 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.65 165.03 36.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -118.23 58.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.225 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.864 HG22 ' HA ' ' A' ' 21' ' ' ILE . 4.5 p . . . . . 0 C--O 1.233 0.187 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 143.95 26.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.525 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.69 117.45 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 124.01 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.419 HG22 HG12 ' A' ' 9' ' ' ILE . 27.2 mm -132.15 136.56 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.709 ' O ' HD13 ' A' ' 9' ' ' ILE . 73.5 m-70 -115.74 113.03 22.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.709 HD13 ' O ' ' A' ' 8' ' ' HIS . 25.7 mm -133.79 146.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.57 -106.35 0.52 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.15 -25.48 13.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.506 2.137 . . . . 0.0 112.504 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.36 39.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.35 -44.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.0 113.19 24.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.36 90.82 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -112.95 122.55 47.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -124.23 105.28 9.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.4 p -150.19 120.23 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.33 141.28 46.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.724 ' O ' HD13 ' A' ' 21' ' ' ILE . 13.8 tp10 -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.864 ' HA ' HG22 ' A' ' 3' ' ' THR . 26.8 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.901 HG22 ' HB ' ' A' ' 21' ' ' ILE . 1.4 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -140.57 -43.5 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HD3' HD11 ' A' ' 7' ' ' ILE . 2.3 ttmp? -164.07 156.4 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -135.17 93.86 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.798 HG22 HG12 ' A' ' 9' ' ' ILE . 27.1 mm -111.61 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -97.17 84.1 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.798 HG12 HG22 ' A' ' 7' ' ' ILE . 28.7 mm -102.54 138.13 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.45 -144.34 5.94 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.44 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.74 -22.93 42.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.5 2.133 . . . . 0.0 112.39 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.8 75.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -155.5 -48.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.58 136.28 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.17 59.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -96.25 130.12 43.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 p -146.25 150.94 36.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -139.89 169.25 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.15 -151.97 1.82 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.8 151.34 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.901 ' HB ' HG22 ' A' ' 3' ' ' THR . 24.4 mm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.671 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 121.046 0.451 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.15 -163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.848 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.897 ' HE2' HD11 ' A' ' 7' ' ' ILE . 8.1 tttt -176.14 147.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -118.45 98.82 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.897 HD11 ' HE2' ' A' ' 5' ' ' LYS . 32.2 mm -107.0 132.05 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.478 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.76 90.39 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.718 HG12 HG22 ' A' ' 7' ' ' ILE . 20.8 mm -116.84 136.1 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.66 170.66 22.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.94 97.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.533 2.155 . . . . 0.0 112.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.64 -115.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.95 84.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.764 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 9' ' ' ILE . . . -137.92 151.48 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.58 96.56 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.042 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.25 101.79 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.467 ' HA ' HD13 ' A' ' 7' ' ' ILE . 11.4 p -111.83 88.07 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.341 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.2 139.71 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.63 -65.37 0.26 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -136.5 -91.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.379 0.133 . . . . 0.0 110.837 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 20' ' ' GLU . 5.1 tt . . . . . 0 C--N 1.329 -0.309 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.636 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 175.79 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.086 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.748 ' NZ ' HD11 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -105.69 147.29 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.51 122.51 12.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.657 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.748 HD11 ' NZ ' ' A' ' 5' ' ' LYS . 29.0 mt -135.0 142.81 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -130.73 122.51 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 128.76 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.69 -92.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.636 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.41 -24.04 20.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 21.01 49.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.792 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -112.53 -34.18 5.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.36 133.91 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.548 ' HE1' HG21 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -111.29 109.74 19.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.718 ' O ' HG23 ' A' ' 7' ' ' ILE . 43.9 m-85 -94.73 90.89 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -107.56 110.34 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -145.99 -179.46 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.2 178.22 44.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.98 101.26 4.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 3' ' ' THR . 8.8 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.927 0.394 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.29 159.27 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -85.91 154.13 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -145.83 101.88 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.769 HG23 ' O ' ' A' ' 16' ' ' TYR . 19.8 mt -128.55 141.08 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.27 90.88 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.567 HG13 HG22 ' A' ' 7' ' ' ILE . 30.6 mt -110.87 120.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.3 -157.53 7.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 119.43 6.36 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.605 2.204 . . . . 0.0 112.221 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.61 -105.47 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.25 41.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.96 85.98 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.87 82.82 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -101.28 111.4 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -116.14 103.61 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.8 p -135.03 154.5 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 158.94 35.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -125.17 105.38 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.096 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.174 0.512 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.96 -178.12 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.038 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -113.46 145.84 40.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.752 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.9 p -93.77 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 6' ' ' SER . 34.8 mm -132.87 109.53 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -140.94 104.37 4.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 14' ' ' ALA . 3.0 mt -125.09 151.99 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 -178.09 15.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.18 82.82 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.578 2.185 . . . . 0.0 112.263 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.7 -102.85 0.17 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.76 43.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -108.44 97.67 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.58 78.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -96.38 120.1 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -145.94 125.56 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 p -149.97 167.54 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.79 140.72 22.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.4 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -113.95 99.11 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.348 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.027 0.442 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.557 ' C ' ' HD3' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -150.12 170.26 19.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.916 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.648 ' HD2' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -138.38 91.49 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 81.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.705 HG22 HD11 ' A' ' 9' ' ' ILE . 42.5 mt -110.65 108.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.236 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.16 112.71 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.705 HD11 HG22 ' A' ' 7' ' ' ILE . 4.0 mp -114.44 138.66 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.234 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.62 171.26 13.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.46 89.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.588 2.192 . . . . 0.0 112.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.73 -114.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 99.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.574 ' HB1' ' HE1' ' A' ' 16' ' ' TYR . . . -149.91 130.47 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.81 79.5 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' HE1' ' HB1' ' A' ' 14' ' ' ALA . 74.0 m-85 -92.34 130.02 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.54 124.44 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.156 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -122.32 144.69 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.7 153.01 21.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.737 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -178.2 137.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 21' ' ' ILE . 6.1 tt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.95 22.37 10.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -179.04 157.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.488 ' O ' HD13 ' A' ' 7' ' ' ILE . 11.7 t -119.16 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.488 HD13 ' O ' ' A' ' 6' ' ' SER . 37.6 mm -122.45 102.02 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -125.86 116.56 21.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.43 HD11 ' CE1' ' A' ' 15' ' ' PHE . 26.1 mt -128.04 131.49 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.97 -164.45 39.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.03 -24.36 33.11 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.597 2.198 . . . . 0.0 112.473 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.25 -114.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.569 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -154.31 88.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.63 110.2 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -103.51 96.85 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.81 117.57 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -127.13 115.06 18.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -140.73 -165.48 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.63 158.23 7.95 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -66.0 -172.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 6' ' ' SER . 0.1 OUTLIER -118.1 -31.71 4.95 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.059 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 119.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 53.9 p -143.48 80.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.515 HD13 HG21 ' A' ' 17' ' ' THR . 15.7 mm -93.71 122.37 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -129.87 76.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -115.25 150.75 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.01 -150.41 5.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.692 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.57 -20.08 25.8 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.534 2.156 . . . . 0.0 112.603 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.73 -151.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.65 28.68 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . -112.5 171.14 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -133.27 87.18 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.031 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -111.21 110.98 21.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 HG21 HD13 ' A' ' 7' ' ' ILE . 5.4 p -150.05 129.55 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 p -114.38 -168.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.614 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.58 -172.44 41.25 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.675 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -121.07 -176.54 3.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.16 -167.17 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.81 120.77 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 p -105.19 136.69 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 HG22 ' A' ' 17' ' ' THR . 38.7 mm -130.36 126.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -127.64 94.44 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.37 112.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.25 -172.1 25.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.0 113.31 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.25 94.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.436 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 -164.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -178.08 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.978 0.418 . . . . 0.0 111.677 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 17' ' ' THR . 2.4 t80 -106.79 114.78 29.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.735 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.45 106.38 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.462 HG21 ' CE2' ' A' ' 15' ' ' PHE . 7.0 p -132.28 111.71 11.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -131.29 163.3 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.55 -151.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -79.47 159.24 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.05 0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.641 HG23 HG23 ' A' ' 21' ' ' ILE . 4.7 t . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.605 0.24 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -103.95 159.32 15.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.876 0.37 . . . . 0.0 111.062 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.858 ' HE3' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 65.95 102.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.13 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -88.6 88.82 7.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.858 HD11 ' HE3' ' A' ' 5' ' ' LYS . 40.5 mm -105.94 124.12 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.04 141.02 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 mm -126.2 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.231 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 11' ' ' PRO . . . -140.43 149.21 20.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.406 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 22.8 Cg_exo -64.54 70.81 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.26 37.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 51.57 43.44 29.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.05 86.75 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.3 137.7 34.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -149.96 128.12 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.2 p -150.14 178.87 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.27 -169.03 0.04 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.834 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.1 tp10 -148.35 -80.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.721 0.295 . . . . 0.0 111.139 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.641 HG23 HG23 ' A' ' 3' ' ' THR . 24.3 mm . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.165 0.507 . . . . 0.0 110.665 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -119.96 -169.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.97 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 135.37 46.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -114.47 122.13 45.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.786 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.492 HG22 HG13 ' A' ' 9' ' ' ILE . 27.5 mm -129.79 143.4 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.25 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.26 106.15 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 7' ' ' ILE . 36.6 mt -142.8 118.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.48 -104.15 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.02 -25.4 16.25 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.501 2.134 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.14 44.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -77.08 -58.39 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.76 -171.08 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.67 94.12 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -97.73 114.33 26.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p -122.51 112.67 18.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -133.64 127.67 33.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.02 147.35 39.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.41 51.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.494 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 mtt180 -118.39 49.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.349 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CG ' HD11 ' A' ' 7' ' ' ILE . 1.3 tttt -42.16 111.53 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.549 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.576 ' O ' HD13 ' A' ' 7' ' ' ILE . 1.1 m -73.99 102.39 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 6' ' ' SER . 35.0 mm -126.6 120.36 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -148.26 112.7 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.751 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.686 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -135.7 163.16 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.85 -155.12 8.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.53 -24.49 26.11 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.203 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.67 -133.81 0.14 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -147.75 72.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.379 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -135.59 98.0 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.522 ' CD1' HG21 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -89.84 102.44 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -102.92 112.67 25.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 7' ' ' ILE . 10.2 p -137.87 117.81 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.04 153.16 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.32 158.55 0.01 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.845 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HG2' ' HB2' ' A' ' 4' ' ' ARG . 0.2 OUTLIER 63.74 136.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.462 0.161 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.27 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -136.46 -40.07 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 7' ' ' ILE . 6.2 ttpt -164.44 115.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.763 ' O ' HD13 ' A' ' 7' ' ' ILE . 26.6 t -85.95 127.28 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 6' ' ' SER . 35.0 mm -132.06 114.84 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -136.12 95.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 15' ' ' PHE . 2.5 mt -127.85 147.09 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.36 -148.53 24.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 61.63 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.535 2.157 . . . . 0.0 112.253 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.72 104.74 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -173.89 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -126.44 176.56 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.67 123.9 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.797 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -129.79 112.0 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -137.43 114.62 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -124.71 171.98 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.53 -148.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -110.15 177.52 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 110.772 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.307 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.331 0.586 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -150.32 -169.52 3.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.046 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -153.36 78.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 111.274 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.93 61.29 6.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 mm -89.96 116.64 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.339 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -136.67 106.28 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 10' ' ' GLY . 21.9 mt -113.13 158.57 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -113.81 -129.05 4.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.498 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.9 -23.93 40.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.458 2.105 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.21 76.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.688 0.28 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.82 105.27 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.33 88.06 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.17 134.47 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.007 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -147.06 135.38 21.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.4 p -114.01 162.02 16.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.77 164.19 12.6 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.325 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -164.21 -163.72 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 110.643 -179.653 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.9 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.135 179.88 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' HG2' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -104.28 152.32 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 125.56 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -127.0 108.57 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.616 ' CG2' HD11 ' A' ' 9' ' ' ILE . 3.9 mt -115.88 138.68 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 0.0 111.352 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -114.23 99.14 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 7' ' ' ILE . 1.5 mp -120.52 134.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.65 -141.2 11.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -51.76 -24.49 18.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.463 2.109 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 84.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.22 -41.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.9 138.59 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.75 78.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.21 125.93 35.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -113.11 99.86 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -150.09 153.17 35.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.44 -96.07 0.15 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.593 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 2.3 mm-40 -123.66 163.75 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.195 0.521 . . . . 0.0 111.024 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.724 HG23 ' HB ' ' A' ' 21' ' ' ILE . 85.0 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.939 0.399 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -149.91 -165.74 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.837 ' HE2' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -58.44 102.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -95.82 142.38 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.837 HD11 ' HE2' ' A' ' 5' ' ' LYS . 29.3 mm -135.08 131.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -136.06 134.61 38.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 14' ' ' ALA . 25.6 mt -137.9 153.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.95 -177.39 34.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.72 -24.54 34.74 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.507 2.138 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.42 -87.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -177.06 84.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -137.02 100.16 4.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 9' ' ' ILE . 9.6 m-85 -89.98 120.91 31.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -126.39 111.25 14.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -110.25 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -145.24 144.45 30.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.96 -162.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.621 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.72 -169.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.724 ' HB ' HG23 ' A' ' 3' ' ' THR . 26.2 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.272 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 21' ' ' ILE . 1.3 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.706 0.289 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.6 0.23 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.118 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 57.63 106.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.842 0.353 . . . . 0.0 111.109 -179.776 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 111.55 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.568 HG22 HD11 ' A' ' 9' ' ' ILE . 3.5 mt -125.23 137.03 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 111.336 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -127.08 117.11 21.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 7' ' ' ILE . 3.6 mp -125.37 158.92 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.232 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -145.73 -156.76 7.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.02 -24.02 18.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.33 -153.26 7.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -138.29 30.8 2.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.51 131.56 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -104.56 102.6 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.0 106.92 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -115.02 107.36 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -149.99 178.73 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.34 171.96 0.14 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.555 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.729 ' O ' HD13 ' A' ' 21' ' ' ILE . 1.8 mm-40 57.3 167.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.667 0.27 . . . . 0.0 110.564 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 20' ' ' GLU . 22.5 mm . . . . . 0 C--N 1.332 -0.175 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -100.16 -160.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 119.5 39.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.838 0.352 . . . . 0.0 110.744 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.09 136.24 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' TYR . 34.3 mt -148.83 140.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -130.3 85.55 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 14' ' ' ALA . 11.3 pt -117.51 151.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.5 177.92 23.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.18 88.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.574 2.183 . . . . 0.0 112.379 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.18 -119.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -163.21 38.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -120.3 116.02 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.19 138.98 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 7' ' ' ILE . 9.5 m-85 -137.12 77.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -99.29 116.91 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.6 t -149.99 163.24 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.82 135.31 15.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.71 75.4 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.729 HG22 ' HB ' ' A' ' 21' ' ' ILE . 19.2 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.952 0.405 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -146.17 1.93 0.87 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.048 -178.833 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 58.8 86.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.453 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.584 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -61.31 110.71 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.358 -179.569 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 6' ' ' SER . 28.3 mm -140.92 85.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.79 179.593 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.704 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -100.1 144.21 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.655 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 8' ' ' HIS . 24.6 mm -144.35 142.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.875 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.07 -88.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.68 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.61 -23.56 63.7 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.643 2.229 . . . . 0.0 112.455 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.82 -26.22 25.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -96.12 27.46 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.11 111.54 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -119.0 85.29 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.31 128.74 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 p -142.08 144.02 33.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -116.83 143.02 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 125.89 25.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.79 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 4.0 mm-40 -120.13 157.07 29.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HG22 ' A' ' 3' ' ' THR . 28.4 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.937 0.398 . . . . 0.0 111.333 -179.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 120.87 7.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.475 -179.879 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 47.82 93.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.551 ' CB ' HG22 ' A' ' 18' ' ' THR . 6.3 m -79.05 79.99 5.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.533 HG22 HD11 ' A' ' 9' ' ' ILE . 36.1 mm -104.88 98.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 125.93 49.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 HG22 ' A' ' 7' ' ' ILE . 3.9 mp -137.65 145.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.7 166.21 21.96 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.27 105.01 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.84 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -120.56 -178.1 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.632 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -91.45 -168.19 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.62 108.23 16.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.632 ' CZ ' ' HB3' ' A' ' 14' ' ' ALA . 11.0 m-85 -115.9 122.82 46.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -139.26 126.83 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.551 HG22 ' CB ' ' A' ' 6' ' ' SER . 10.8 t -122.96 -172.57 2.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.5 -159.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.928 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.15 -71.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 111.178 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.428 179.707 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.51 124.88 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.762 ' HD2' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 54.21 88.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.5 99.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.762 HD11 ' HD2' ' A' ' 5' ' ' LYS . 47.6 mt -128.66 141.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.82 97.9 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.431 HG13 HG22 ' A' ' 7' ' ' ILE . 32.1 mt -139.65 123.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.8 -76.79 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.02 -24.9 20.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.596 2.198 . . . . 0.0 112.37 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.05 81.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -44.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.53 144.89 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.13 98.95 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 7' ' ' ILE . 13.0 m-85 -102.56 102.38 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 p -118.69 113.58 21.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 167.51 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.63 -151.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.447 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -98.58 -178.06 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.74 0.305 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' HG2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -91.85 163.91 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 179.849 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -117.19 160.72 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HD13 ' A' ' 7' ' ' ILE . 1.2 t -133.17 120.47 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.523 HD12 HG22 ' A' ' 17' ' ' THR . 36.8 mm -128.68 120.63 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.282 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -149.64 85.09 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.646 HG21 ' HA ' ' A' ' 15' ' ' PHE . 5.4 pt -129.09 -179.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.55 16.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 101.66 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.532 2.154 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.71 -104.22 0.17 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -165.95 32.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.32 164.67 12.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.646 ' HA ' HG21 ' A' ' 9' ' ' ILE . 3.5 m-85 -150.0 126.91 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' HD1' HG22 ' A' ' 9' ' ' ILE . 54.1 m-85 -127.16 90.65 3.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 HD12 ' A' ' 7' ' ' ILE . 5.5 p -130.56 113.92 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -136.66 141.61 43.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.24 155.96 52.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' CB ' ' HG2' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -137.55 128.64 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.876 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 21' ' ' ILE . 7.1 tt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.75 -40.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.205 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CD ' HD11 ' A' ' 7' ' ' ILE . 3.6 ttmt -151.59 90.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.757 ' O ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -76.18 107.29 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 16' ' ' TYR . 34.6 mt -135.88 143.29 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -132.04 87.82 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.58 99.89 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.62 -97.72 0.24 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 86.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.85 -123.32 2.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -175.87 52.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.983 0.421 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.12 -175.85 2.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CD1' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER -147.45 82.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 7' ' ' ILE . 10.9 m-85 -96.97 93.25 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 15' ' ' PHE . 52.2 p -106.68 126.8 52.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 6' ' ' SER . 9.5 t -144.21 155.74 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.39 -165.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.579 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -76.8 175.97 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.796 0.331 . . . . 0.0 110.665 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.255 179.966 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 20' ' ' GLU . 14.2 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.868 0.366 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 158.19 17.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 -179.702 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.609 ' CE ' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -70.43 164.28 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.184 -179.818 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -139.59 85.86 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.753 179.899 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.609 HD11 ' CE ' ' A' ' 5' ' ' LYS . 18.8 mm -90.0 103.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -110.31 86.83 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.459 HD13 ' CD1' ' A' ' 15' ' ' PHE . 21.1 mt -141.32 141.28 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.32 -126.81 5.94 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.447 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.87 -24.65 19.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.443 2.095 . . . . 0.0 112.418 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.84 86.6 0.92 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -157.32 -51.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.2 120.6 37.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CD1' HD13 ' A' ' 9' ' ' ILE . 10.6 m-85 -109.08 75.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -123.78 114.1 19.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.537 HG21 HD13 ' A' ' 7' ' ' ILE . 4.8 p -136.37 125.32 24.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.89 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -112.1 -167.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.62 175.84 20.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -112.52 129.96 56.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.953 -179.932 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.889 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.118 0.485 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.96 58.94 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.973 -179.142 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.28 162.05 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.99 82.65 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.408 HD13 ' CG2' ' A' ' 17' ' ' THR . 33.9 mm -93.16 105.69 17.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -125.58 95.9 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 14' ' ' ALA . 4.7 mt -117.57 136.84 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.75 178.07 29.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.18 -24.95 21.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.547 2.164 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.0 -128.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.643 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -147.58 40.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -89.92 137.21 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -123.5 99.53 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -137.96 119.67 15.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.408 ' CG2' HD13 ' A' ' 7' ' ' ILE . 10.6 p -141.92 138.57 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 p -127.14 -162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.46 174.55 28.76 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.577 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.35 91.71 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.032 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -147.79 145.27 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -111.26 99.41 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.89 107.03 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -121.63 112.36 18.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 15' ' ' PHE . 24.7 mm -107.74 108.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.53 -94.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.68 -169.53 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.455 2.103 . . . . 0.0 112.216 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.67 43.18 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -175.28 37.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.24 136.22 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.48 ' CD1' HD12 ' A' ' 9' ' ' ILE . 8.3 m-85 -149.99 105.07 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.11 114.94 28.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 p -128.96 96.56 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -145.43 114.53 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.634 ' CD ' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -166.11 117.26 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.501 ' O ' HD13 ' A' ' 7' ' ' ILE . 90.5 p -94.13 117.67 30.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 9' ' ' ILE . 47.2 mm -127.14 107.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.651 ' C ' HD12 ' A' ' 9' ' ' ILE . 24.7 m80 -122.27 134.25 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 7' ' ' ILE . 3.3 mp -139.06 136.87 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.5 -150.72 9.17 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.412 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 59.27 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.591 2.194 . . . . 0.0 112.291 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.86 99.26 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -68.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.64 140.02 24.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE1' HG23 ' A' ' 7' ' ' ILE . 1.1 t80 -110.27 98.74 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.3 139.03 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.438 ' CG2' ' CE1' ' A' ' 15' ' ' PHE . 11.5 p -148.95 125.45 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.6 p -150.02 121.92 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.563 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -131.81 156.36 46.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.766 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -138.7 121.6 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 16' ' ' TYR . 16.7 mt -132.25 147.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -111.08 98.61 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 14' ' ' ALA . 11.9 pt -145.34 118.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 -94.98 0.75 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.93 -25.02 34.03 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.572 2.181 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.33 67.93 0.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -148.19 -57.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -91.42 131.71 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -133.34 70.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 7' ' ' ILE . 21.9 m-85 -89.93 124.79 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 p -104.83 130.1 53.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 p -141.46 124.87 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HD3' HD11 ' A' ' 7' ' ' ILE . 1.4 mttp -114.61 115.98 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -102.08 113.1 26.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.575 HD11 ' HD3' ' A' ' 5' ' ' LYS . 8.6 mt -126.22 133.46 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.8 100.29 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 15' ' ' PHE . 28.7 pt -139.7 141.68 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.71 -82.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.697 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.3 -44.41 4.86 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.672 2.248 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.83 61.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -147.54 -47.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -98.15 106.31 18.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -106.76 91.31 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -89.89 109.03 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -111.16 104.69 13.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -131.38 161.26 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 111.525 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.69 117.45 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 124.01 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.419 HG22 HG12 ' A' ' 9' ' ' ILE . 27.2 mm -132.15 136.56 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.709 ' O ' HD13 ' A' ' 9' ' ' ILE . 73.5 m-70 -115.74 113.03 22.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.709 HD13 ' O ' ' A' ' 8' ' ' HIS . 25.7 mm -133.79 146.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.57 -106.35 0.52 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.15 -25.48 13.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.506 2.137 . . . . 0.0 112.504 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.36 39.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.35 -44.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.0 113.19 24.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.36 90.82 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -112.95 122.55 47.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -124.23 105.28 9.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.4 p -150.19 120.23 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.741 0.305 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HD3' HD11 ' A' ' 7' ' ' ILE . 2.3 ttmp? -164.07 156.4 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -135.17 93.86 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.798 HG22 HG12 ' A' ' 9' ' ' ILE . 27.1 mm -111.61 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -97.17 84.1 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.798 HG12 HG22 ' A' ' 7' ' ' ILE . 28.7 mm -102.54 138.13 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.45 -144.34 5.94 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.44 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.74 -22.93 42.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.5 2.133 . . . . 0.0 112.39 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.8 75.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -155.5 -48.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.58 136.28 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.17 59.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -96.25 130.12 43.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 p -146.25 150.94 36.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -139.89 169.25 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.588 0.233 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.897 ' HE2' HD11 ' A' ' 7' ' ' ILE . 8.1 tttt -176.14 147.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -118.45 98.82 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.897 HD11 ' HE2' ' A' ' 5' ' ' LYS . 32.2 mm -107.0 132.05 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.478 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.76 90.39 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.718 HG12 HG22 ' A' ' 7' ' ' ILE . 20.8 mm -116.84 136.1 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.66 170.66 22.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.94 97.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.533 2.155 . . . . 0.0 112.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.64 -115.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.95 84.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.764 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 9' ' ' ILE . . . -137.92 151.48 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.58 96.56 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.042 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.25 101.79 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.467 ' HA ' HD13 ' A' ' 7' ' ' ILE . 11.4 p -111.83 88.07 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.341 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.2 139.71 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.85 0.357 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.748 ' NZ ' HD11 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -105.69 147.29 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.51 122.51 12.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.657 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.748 HD11 ' NZ ' ' A' ' 5' ' ' LYS . 29.0 mt -135.0 142.81 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -130.73 122.51 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 128.76 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.69 -92.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.636 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.41 -24.04 20.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 21.01 49.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.792 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -112.53 -34.18 5.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.36 133.91 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.548 ' HE1' HG21 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -111.29 109.74 19.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.718 ' O ' HG23 ' A' ' 7' ' ' ILE . 43.9 m-85 -94.73 90.89 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -107.56 110.34 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -145.99 -179.46 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.441 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -85.91 154.13 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -145.83 101.88 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.769 HG23 ' O ' ' A' ' 16' ' ' TYR . 19.8 mt -128.55 141.08 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.27 90.88 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.567 HG13 HG22 ' A' ' 7' ' ' ILE . 30.6 mt -110.87 120.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.3 -157.53 7.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 119.43 6.36 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.605 2.204 . . . . 0.0 112.221 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.61 -105.47 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.25 41.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.96 85.98 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.87 82.82 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -101.28 111.4 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -116.14 103.61 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.8 p -135.03 154.5 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.767 0.317 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -113.46 145.84 40.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.752 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.9 p -93.77 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 6' ' ' SER . 34.8 mm -132.87 109.53 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -140.94 104.37 4.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 14' ' ' ALA . 3.0 mt -125.09 151.99 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 -178.09 15.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.18 82.82 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.578 2.185 . . . . 0.0 112.263 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.7 -102.85 0.17 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.76 43.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -108.44 97.67 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.58 78.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -96.38 120.1 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -145.94 125.56 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 p -149.97 167.54 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.4 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.557 ' HD3' ' C ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.648 ' HD2' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -138.38 91.49 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 81.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.705 HG22 HD11 ' A' ' 9' ' ' ILE . 42.5 mt -110.65 108.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.236 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.16 112.71 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.705 HD11 HG22 ' A' ' 7' ' ' ILE . 4.0 mp -114.44 138.66 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.234 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.62 171.26 13.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.46 89.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.588 2.192 . . . . 0.0 112.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.73 -114.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 99.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.574 ' HB1' ' HE1' ' A' ' 16' ' ' TYR . . . -149.91 130.47 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.81 79.5 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.574 ' HE1' ' HB1' ' A' ' 14' ' ' ALA . 74.0 m-85 -92.34 130.02 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.54 124.44 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.156 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -122.32 144.69 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.737 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -179.04 157.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.488 ' O ' HD13 ' A' ' 7' ' ' ILE . 11.7 t -119.16 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.488 HD13 ' O ' ' A' ' 6' ' ' SER . 37.6 mm -122.45 102.02 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -125.86 116.56 21.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.43 HD11 ' CE1' ' A' ' 15' ' ' PHE . 26.1 mt -128.04 131.49 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.97 -164.45 39.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.03 -24.36 33.11 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.597 2.198 . . . . 0.0 112.473 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.25 -114.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.569 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -154.31 88.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.63 110.2 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -103.51 96.85 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.81 117.57 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -127.13 115.06 18.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -140.73 -165.48 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 6' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.699 0.285 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 119.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 53.9 p -143.48 80.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.515 HD13 HG21 ' A' ' 17' ' ' THR . 15.7 mm -93.71 122.37 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -129.87 76.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -115.25 150.75 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.01 -150.41 5.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.692 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.57 -20.08 25.8 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.534 2.156 . . . . 0.0 112.603 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.73 -151.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.65 28.68 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . -112.5 171.14 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -133.27 87.18 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.031 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -111.21 110.98 21.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.515 HG21 HD13 ' A' ' 7' ' ' ILE . 5.4 p -150.05 129.55 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 p -114.38 -168.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.614 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.675 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.835 0.35 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.81 120.77 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 p -105.19 136.69 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 HG22 ' A' ' 17' ' ' THR . 38.7 mm -130.36 126.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -127.64 94.44 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.37 112.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.25 -172.1 25.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.0 113.31 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.25 94.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.436 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 -164.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -178.08 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.978 0.418 . . . . 0.0 111.677 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 17' ' ' THR . 2.4 t80 -106.79 114.78 29.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.735 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.45 106.38 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.462 HG21 ' CE2' ' A' ' 15' ' ' PHE . 7.0 p -132.28 111.71 11.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -131.29 163.3 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.876 0.37 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.858 ' HE3' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 65.95 102.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.13 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -88.6 88.82 7.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.858 HD11 ' HE3' ' A' ' 5' ' ' LYS . 40.5 mm -105.94 124.12 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.04 141.02 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 mm -126.2 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.231 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 11' ' ' PRO . . . -140.43 149.21 20.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.406 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 22.8 Cg_exo -64.54 70.81 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.26 37.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 51.57 43.44 29.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.05 86.75 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.3 137.7 34.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -149.96 128.12 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.2 p -150.14 178.87 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.386 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.834 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.893 0.378 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 135.37 46.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -114.47 122.13 45.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.786 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.492 HG22 HG13 ' A' ' 9' ' ' ILE . 27.5 mm -129.79 143.4 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.25 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.26 106.15 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 7' ' ' ILE . 36.6 mt -142.8 118.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.48 -104.15 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.02 -25.4 16.25 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.501 2.134 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.14 44.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -77.08 -58.39 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.76 -171.08 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.67 94.12 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -97.73 114.33 26.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p -122.51 112.67 18.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -133.64 127.67 33.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.514 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.612 0.244 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CG ' HD11 ' A' ' 7' ' ' ILE . 1.3 tttt -42.16 111.53 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.549 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.576 ' O ' HD13 ' A' ' 7' ' ' ILE . 1.1 m -73.99 102.39 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 6' ' ' SER . 35.0 mm -126.6 120.36 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -148.26 112.7 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.751 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.686 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -135.7 163.16 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.85 -155.12 8.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.53 -24.49 26.11 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.203 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.67 -133.81 0.14 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -147.75 72.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.379 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -135.59 98.0 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' CD1' HG21 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -89.84 102.44 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -102.92 112.67 25.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 7' ' ' ILE . 10.2 p -137.87 117.81 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.04 153.16 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.845 179.7 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.62 0.248 . . . . 0.0 110.774 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 7' ' ' ILE . 6.2 ttpt -164.44 115.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.763 ' O ' HD13 ' A' ' 7' ' ' ILE . 26.6 t -85.95 127.28 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 6' ' ' SER . 35.0 mm -132.06 114.84 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -136.12 95.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 15' ' ' PHE . 2.5 mt -127.85 147.09 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.36 -148.53 24.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 61.63 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.535 2.157 . . . . 0.0 112.253 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.72 104.74 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -173.89 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -126.44 176.56 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.67 123.9 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.797 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -129.79 112.0 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -137.43 114.62 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -124.71 171.98 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -153.36 78.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 111.274 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.93 61.29 6.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 mm -89.96 116.64 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.339 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -136.67 106.28 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 10' ' ' GLY . 21.9 mt -113.13 158.57 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -113.81 -129.05 4.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.498 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.9 -23.93 40.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.458 2.105 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.21 76.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.688 0.28 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.82 105.27 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.33 88.06 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.17 134.47 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.007 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -147.06 135.38 21.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.4 p -114.01 162.02 16.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.366 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.325 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 125.56 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -127.0 108.57 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.616 ' CG2' HD11 ' A' ' 9' ' ' ILE . 3.9 mt -115.88 138.68 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 0.0 111.352 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -114.23 99.14 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 7' ' ' ILE . 1.5 mp -120.52 134.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.65 -141.2 11.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -51.76 -24.49 18.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.463 2.109 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 84.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.22 -41.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.9 138.59 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.75 78.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.21 125.93 35.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -113.11 99.86 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -150.09 153.17 35.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.593 -179.953 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.354 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.837 ' HE2' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -58.44 102.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -95.82 142.38 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.837 HD11 ' HE2' ' A' ' 5' ' ' LYS . 29.3 mm -135.08 131.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CE1' ' CB ' ' A' ' 16' ' ' TYR . 8.0 p80 -136.06 134.61 38.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 14' ' ' ALA . 25.6 mt -137.9 153.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.95 -177.39 34.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.72 -24.54 34.74 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.507 2.138 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.42 -87.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -177.06 84.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -137.02 100.16 4.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 9' ' ' ILE . 9.6 m-85 -89.98 120.91 31.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.43 ' CB ' ' CE1' ' A' ' 8' ' ' HIS . 2.3 m-85 -126.39 111.25 14.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -110.25 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -145.24 144.45 30.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.621 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 106.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.842 0.353 . . . . 0.0 111.109 -179.776 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 111.55 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.568 HG22 HD11 ' A' ' 9' ' ' ILE . 3.5 mt -125.23 137.03 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 111.336 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -127.08 117.11 21.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 7' ' ' ILE . 3.6 mp -125.37 158.92 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.232 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -145.73 -156.76 7.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.02 -24.02 18.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.33 -153.26 7.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -138.29 30.8 2.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.51 131.56 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -104.56 102.6 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.0 106.92 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -115.02 107.36 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -149.99 178.73 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.555 179.968 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 119.5 39.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.838 0.352 . . . . 0.0 110.744 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.09 136.24 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' TYR . 34.3 mt -148.83 140.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -130.3 85.55 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 14' ' ' ALA . 11.3 pt -117.51 151.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.5 177.92 23.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.18 88.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.574 2.183 . . . . 0.0 112.379 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.18 -119.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -163.21 38.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -120.3 116.02 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.19 138.98 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 7' ' ' ILE . 9.5 m-85 -137.12 77.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -99.29 116.91 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.6 t -149.99 163.24 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 179.907 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.8 86.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.453 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.584 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -61.31 110.71 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.358 -179.569 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 6' ' ' SER . 28.3 mm -140.92 85.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.79 179.593 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.704 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -100.1 144.21 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.655 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 8' ' ' HIS . 24.6 mm -144.35 142.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.875 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.07 -88.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.68 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.61 -23.56 63.7 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.643 2.229 . . . . 0.0 112.455 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.82 -26.22 25.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -96.12 27.46 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.11 111.54 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -119.0 85.29 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.31 128.74 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 p -142.08 144.02 33.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -116.83 143.02 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.79 -179.696 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 47.82 93.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.551 ' CB ' HG22 ' A' ' 18' ' ' THR . 6.3 m -79.05 79.99 5.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.533 HG22 HD11 ' A' ' 9' ' ' ILE . 36.1 mm -104.88 98.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 125.93 49.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 HG22 ' A' ' 7' ' ' ILE . 3.9 mp -137.65 145.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.7 166.21 21.96 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.27 105.01 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.84 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -120.56 -178.1 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.632 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -91.45 -168.19 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.62 108.23 16.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.632 ' CZ ' ' HB3' ' A' ' 14' ' ' ALA . 11.0 m-85 -115.9 122.82 46.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -139.26 126.83 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.551 HG22 ' CB ' ' A' ' 6' ' ' SER . 10.8 t -122.96 -172.57 2.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.928 -179.627 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.762 ' HD2' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 54.21 88.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.5 99.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.762 HD11 ' HD2' ' A' ' 5' ' ' LYS . 47.6 mt -128.66 141.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.82 97.9 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.431 HG13 HG22 ' A' ' 7' ' ' ILE . 32.1 mt -139.65 123.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.8 -76.79 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.02 -24.9 20.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.596 2.198 . . . . 0.0 112.37 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.05 81.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -44.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.53 144.89 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.13 98.95 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 7' ' ' ILE . 13.0 m-85 -102.56 102.38 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 p -118.69 113.58 21.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 167.51 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.447 -179.932 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -117.19 160.72 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HD13 ' A' ' 7' ' ' ILE . 1.2 t -133.17 120.47 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.523 HD12 HG22 ' A' ' 17' ' ' THR . 36.8 mm -128.68 120.63 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.282 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -149.64 85.09 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.646 HG21 ' HA ' ' A' ' 15' ' ' PHE . 5.4 pt -129.09 -179.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.55 16.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 101.66 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.532 2.154 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.71 -104.22 0.17 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -165.95 32.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.32 164.67 12.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.646 ' HA ' HG21 ' A' ' 9' ' ' ILE . 3.5 m-85 -150.0 126.91 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' HD1' HG22 ' A' ' 9' ' ' ILE . 54.1 m-85 -127.16 90.65 3.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 HD12 ' A' ' 7' ' ' ILE . 5.5 p -130.56 113.92 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -136.66 141.61 43.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 179.956 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.804 0.335 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CD ' HD11 ' A' ' 7' ' ' ILE . 3.6 ttmt -151.59 90.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.757 ' O ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -76.18 107.29 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 16' ' ' TYR . 34.6 mt -135.88 143.29 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -132.04 87.82 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.58 99.89 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.62 -97.72 0.24 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 86.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.85 -123.32 2.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -175.87 52.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.983 0.421 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.12 -175.85 2.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CD1' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER -147.45 82.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 7' ' ' ILE . 10.9 m-85 -96.97 93.25 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 15' ' ' PHE . 52.2 p -106.68 126.8 52.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 6' ' ' SER . 9.5 t -144.21 155.74 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.579 -179.889 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.609 ' CE ' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -70.43 164.28 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.184 -179.818 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -139.59 85.86 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.753 179.899 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.609 HD11 ' CE ' ' A' ' 5' ' ' LYS . 18.8 mm -90.0 103.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -110.31 86.83 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.459 HD13 ' CD1' ' A' ' 15' ' ' PHE . 21.1 mt -141.32 141.28 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.32 -126.81 5.94 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.447 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.87 -24.65 19.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.443 2.095 . . . . 0.0 112.418 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.84 86.6 0.92 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -157.32 -51.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.2 120.6 37.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CD1' HD13 ' A' ' 9' ' ' ILE . 10.6 m-85 -109.08 75.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -123.78 114.1 19.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.537 HG21 HD13 ' A' ' 7' ' ' ILE . 4.8 p -136.37 125.32 24.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.89 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -112.1 -167.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.911 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.945 0.402 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.28 162.05 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.99 82.65 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.408 HD13 ' CG2' ' A' ' 17' ' ' THR . 33.9 mm -93.16 105.69 17.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -125.58 95.9 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 14' ' ' ALA . 4.7 mt -117.57 136.84 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.75 178.07 29.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.18 -24.95 21.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.547 2.164 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.0 -128.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.643 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -147.58 40.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -89.92 137.21 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -123.5 99.53 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -137.96 119.67 15.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.408 ' CG2' HD13 ' A' ' 7' ' ' ILE . 10.6 p -141.92 138.57 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 p -127.14 -162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.577 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.2 130.49 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -147.79 145.27 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -111.26 99.41 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.89 107.03 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -121.63 112.36 18.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 15' ' ' PHE . 24.7 mm -107.74 108.1 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.53 -94.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.68 -169.53 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.455 2.103 . . . . 0.0 112.216 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.67 43.18 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -175.28 37.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.24 136.22 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.48 ' CD1' HD12 ' A' ' 9' ' ' ILE . 8.3 m-85 -149.99 105.07 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.11 114.94 28.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 p -128.96 96.56 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -145.43 114.53 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.08 -142.28 3.36 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HG3' HG12 ' A' ' 21' ' ' ILE . 4.5 tp10 -80.16 -83.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.435 HG12 ' HG3' ' A' ' 20' ' ' GLU . 14.6 pt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.424 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.305 0.574 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -94.67 113.8 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.915 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.634 ' CD ' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -166.11 117.26 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.501 ' O ' HD13 ' A' ' 7' ' ' ILE . 90.5 p -94.13 117.67 30.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 9' ' ' ILE . 47.2 mm -127.14 107.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.651 ' C ' HD12 ' A' ' 9' ' ' ILE . 24.7 m80 -122.27 134.25 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 7' ' ' ILE . 3.3 mp -139.06 136.87 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.5 -150.72 9.17 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.412 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 59.27 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.591 2.194 . . . . 0.0 112.291 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.86 99.26 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -68.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.64 140.02 24.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE1' HG23 ' A' ' 7' ' ' ILE . 1.1 t80 -110.27 98.74 7.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.3 139.03 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.438 ' CG2' ' CE1' ' A' ' 15' ' ' PHE . 11.5 p -148.95 125.45 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.6 p -150.02 121.92 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.99 -129.97 1.15 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.563 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -175.52 96.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' ILE . 11.7 tt . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.1 -173.4 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.097 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -131.81 156.36 46.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.766 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -138.7 121.6 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 16' ' ' TYR . 16.7 mt -132.25 147.67 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -111.08 98.61 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 14' ' ' ALA . 11.9 pt -145.34 118.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 -94.98 0.75 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.93 -25.02 34.03 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.572 2.181 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.33 67.93 0.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -148.19 -57.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -91.42 131.71 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -133.34 70.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.775 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 7' ' ' ILE . 21.9 m-85 -89.93 124.79 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.0 p -104.83 130.1 53.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 p -141.46 124.87 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.95 142.19 19.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -106.25 90.88 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.82 -170.43 2.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.385 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HD3' HD11 ' A' ' 7' ' ' ILE . 1.4 mttp -114.61 115.98 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -102.08 113.1 26.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.575 HD11 ' HD3' ' A' ' 5' ' ' LYS . 8.6 mt -126.22 133.46 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.8 100.29 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 15' ' ' PHE . 28.7 pt -139.7 141.68 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.71 -82.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.697 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.3 -44.41 4.86 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.672 2.248 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.83 61.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -147.54 -47.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -98.15 106.31 18.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -106.76 91.31 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -89.89 109.03 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -111.16 104.69 13.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -131.38 161.26 32.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.65 165.03 36.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -118.23 58.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.225 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.864 HG22 ' HA ' ' A' ' 21' ' ' ILE . 4.5 p . . . . . 0 C--O 1.233 0.187 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.98 143.95 26.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.525 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.69 117.45 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 124.01 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.419 HG22 HG12 ' A' ' 9' ' ' ILE . 27.2 mm -132.15 136.56 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.709 ' O ' HD13 ' A' ' 9' ' ' ILE . 73.5 m-70 -115.74 113.03 22.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.709 HD13 ' O ' ' A' ' 8' ' ' HIS . 25.7 mm -133.79 146.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.57 -106.35 0.52 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.15 -25.48 13.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.506 2.137 . . . . 0.0 112.504 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.36 39.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.35 -44.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.0 113.19 24.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.36 90.82 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -112.95 122.55 47.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -124.23 105.28 9.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.4 p -150.19 120.23 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.33 141.28 46.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.724 ' O ' HD13 ' A' ' 21' ' ' ILE . 13.8 tp10 -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.864 ' HA ' HG22 ' A' ' 3' ' ' THR . 26.8 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.901 HG22 ' HB ' ' A' ' 21' ' ' ILE . 1.4 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.951 0.405 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -140.57 -43.5 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HD3' HD11 ' A' ' 7' ' ' ILE . 2.3 ttmp? -164.07 156.4 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -135.17 93.86 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.798 HG22 HG12 ' A' ' 9' ' ' ILE . 27.1 mm -111.61 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -97.17 84.1 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.798 HG12 HG22 ' A' ' 7' ' ' ILE . 28.7 mm -102.54 138.13 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.45 -144.34 5.94 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.44 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.74 -22.93 42.66 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.5 2.133 . . . . 0.0 112.39 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.8 75.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.58 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -155.5 -48.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.58 136.28 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.17 59.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -96.25 130.12 43.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 p -146.25 150.94 36.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -139.89 169.25 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.15 -151.97 1.82 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.8 151.34 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.901 ' HB ' HG22 ' A' ' 3' ' ' THR . 24.4 mm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.671 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 121.046 0.451 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HG2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.15 -163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.848 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.897 ' HE2' HD11 ' A' ' 7' ' ' ILE . 8.1 tttt -176.14 147.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -118.45 98.82 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.897 HD11 ' HE2' ' A' ' 5' ' ' LYS . 32.2 mm -107.0 132.05 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.478 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -121.76 90.39 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.718 HG12 HG22 ' A' ' 7' ' ' ILE . 20.8 mm -116.84 136.1 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.66 170.66 22.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.94 97.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.533 2.155 . . . . 0.0 112.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.64 -115.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.95 84.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.764 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 9' ' ' ILE . . . -137.92 151.48 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.58 96.56 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.042 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.25 101.79 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.467 ' HA ' HD13 ' A' ' 7' ' ' ILE . 11.4 p -111.83 88.07 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.341 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.2 139.71 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.63 -65.37 0.26 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -136.5 -91.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.379 0.133 . . . . 0.0 110.837 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 20' ' ' GLU . 5.1 tt . . . . . 0 C--N 1.329 -0.309 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.636 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 175.79 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.086 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.748 ' NZ ' HD11 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -105.69 147.29 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.51 122.51 12.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.657 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.748 HD11 ' NZ ' ' A' ' 5' ' ' LYS . 29.0 mt -135.0 142.81 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -130.73 122.51 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 128.76 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.69 -92.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.636 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.41 -24.04 20.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.643 2.229 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.53 21.01 49.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.792 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -112.53 -34.18 5.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.36 133.91 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.548 ' HE1' HG21 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -111.29 109.74 19.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.718 ' O ' HG23 ' A' ' 7' ' ' ILE . 43.9 m-85 -94.73 90.89 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -107.56 110.34 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -145.99 -179.46 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.2 178.22 44.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.98 101.26 4.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 3' ' ' THR . 8.8 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.927 0.394 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.29 159.27 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -85.91 154.13 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -145.83 101.88 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.769 HG23 ' O ' ' A' ' 16' ' ' TYR . 19.8 mt -128.55 141.08 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.27 90.88 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.567 HG13 HG22 ' A' ' 7' ' ' ILE . 30.6 mt -110.87 120.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.3 -157.53 7.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.07 119.43 6.36 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.605 2.204 . . . . 0.0 112.221 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.61 -105.47 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.25 41.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.96 85.98 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.87 82.82 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -101.28 111.4 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -116.14 103.61 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.8 p -135.03 154.5 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.84 158.94 35.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -125.17 105.38 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.096 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.174 0.512 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.96 -178.12 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.038 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HD3' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -113.46 145.84 40.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.752 ' O ' HD13 ' A' ' 7' ' ' ILE . 3.9 p -93.77 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 6' ' ' SER . 34.8 mm -132.87 109.53 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -140.94 104.37 4.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 14' ' ' ALA . 3.0 mt -125.09 151.99 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 -178.09 15.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.18 82.82 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.578 2.185 . . . . 0.0 112.263 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.7 -102.85 0.17 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.76 43.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -108.44 97.67 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.58 78.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -96.38 120.1 36.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -145.94 125.56 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 p -149.97 167.54 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.79 140.72 22.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.4 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -113.95 99.11 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.348 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.027 0.442 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.557 ' HD3' ' C ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -150.12 170.26 19.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.916 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.648 ' HD2' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -138.38 91.49 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 81.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.705 HG22 HD11 ' A' ' 9' ' ' ILE . 42.5 mt -110.65 108.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.236 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.16 112.71 16.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.705 HD11 HG22 ' A' ' 7' ' ' ILE . 4.0 mp -114.44 138.66 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.234 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.62 171.26 13.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.46 89.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.588 2.192 . . . . 0.0 112.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.73 -114.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 99.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.574 ' HB1' ' HE1' ' A' ' 16' ' ' TYR . . . -149.91 130.47 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.81 79.5 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.574 ' HE1' ' HB1' ' A' ' 14' ' ' ALA . 74.0 m-85 -92.34 130.02 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.54 124.44 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.156 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -122.32 144.69 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.7 153.01 21.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.737 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -178.2 137.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 21' ' ' ILE . 6.1 tt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.95 22.37 10.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -179.04 157.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.488 ' O ' HD13 ' A' ' 7' ' ' ILE . 11.7 t -119.16 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.488 HD13 ' O ' ' A' ' 6' ' ' SER . 37.6 mm -122.45 102.02 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -125.86 116.56 21.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.931 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.43 HD11 ' CE1' ' A' ' 15' ' ' PHE . 26.1 mt -128.04 131.49 69.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.97 -164.45 39.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.03 -24.36 33.11 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.597 2.198 . . . . 0.0 112.473 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.25 -114.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.569 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -154.31 88.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.63 110.2 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -103.51 96.85 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.81 117.57 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -127.13 115.06 18.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -140.73 -165.48 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.63 158.23 7.95 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pm0 -66.0 -172.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 6' ' ' SER . 0.1 OUTLIER -118.1 -31.71 4.95 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.059 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.98 119.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 53.9 p -143.48 80.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.515 HD13 HG21 ' A' ' 17' ' ' THR . 15.7 mm -93.71 122.37 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.264 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -129.87 76.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -115.25 150.75 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.01 -150.41 5.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.692 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.57 -20.08 25.8 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.534 2.156 . . . . 0.0 112.603 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.73 -151.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.65 28.68 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . . . -112.5 171.14 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -133.27 87.18 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.031 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -111.21 110.98 21.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 HG21 HD13 ' A' ' 7' ' ' ILE . 5.4 p -150.05 129.55 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.3 p -114.38 -168.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.614 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.58 -172.44 41.25 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.675 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -121.07 -176.54 3.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.16 -167.17 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.81 120.77 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 p -105.19 136.69 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 HG22 ' A' ' 17' ' ' THR . 38.7 mm -130.36 126.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -127.64 94.44 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.37 112.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.25 -172.1 25.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.0 113.31 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.25 94.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.436 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 -164.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -178.08 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.978 0.418 . . . . 0.0 111.677 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 17' ' ' THR . 2.4 t80 -106.79 114.78 29.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.735 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.45 106.38 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.462 HG21 ' CE2' ' A' ' 15' ' ' PHE . 7.0 p -132.28 111.71 11.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -131.29 163.3 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.55 -151.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -79.47 159.24 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.05 0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.641 HG23 HG23 ' A' ' 21' ' ' ILE . 4.7 t . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.605 0.24 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -103.95 159.32 15.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.876 0.37 . . . . 0.0 111.062 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.858 ' HE3' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 65.95 102.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.13 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -88.6 88.82 7.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.858 HD11 ' HE3' ' A' ' 5' ' ' LYS . 40.5 mm -105.94 124.12 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.04 141.02 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 mm -126.2 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.231 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 11' ' ' PRO . . . -140.43 149.21 20.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.406 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 22.8 Cg_exo -64.54 70.81 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.26 37.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtm105 51.57 43.44 29.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.05 86.75 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.27 108.54 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.3 137.7 34.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -149.96 128.12 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.2 p -150.14 178.87 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.27 -169.03 0.04 OUTLIER Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.834 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.1 tp10 -148.35 -80.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.721 0.295 . . . . 0.0 111.139 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.641 HG23 HG23 ' A' ' 3' ' ' THR . 24.3 mm . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.165 0.507 . . . . 0.0 110.665 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -119.96 -169.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.97 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 135.37 46.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -114.47 122.13 45.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.786 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.492 HG22 HG13 ' A' ' 9' ' ' ILE . 27.5 mm -129.79 143.4 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.25 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -122.26 106.15 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 7' ' ' ILE . 36.6 mt -142.8 118.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.48 -104.15 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.02 -25.4 16.25 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.501 2.134 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.14 44.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -77.08 -58.39 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.76 -171.08 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.67 94.12 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -97.73 114.33 26.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p -122.51 112.67 18.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -133.64 127.67 33.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.02 147.35 39.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.41 51.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.494 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 6.6 mtt180 -118.39 49.93 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.349 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CG ' HD11 ' A' ' 7' ' ' ILE . 1.3 tttt -42.16 111.53 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.549 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.576 ' O ' HD13 ' A' ' 7' ' ' ILE . 1.1 m -73.99 102.39 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 6' ' ' SER . 35.0 mm -126.6 120.36 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -148.26 112.7 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.751 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.686 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -135.7 163.16 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.85 -155.12 8.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.53 -24.49 26.11 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.604 2.203 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.67 -133.81 0.14 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -147.75 72.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.379 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -135.59 98.0 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.522 ' CD1' HG21 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -89.84 102.44 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -102.92 112.67 25.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 7' ' ' ILE . 10.2 p -137.87 117.81 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -150.04 153.16 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.32 158.55 0.01 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.845 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HG2' ' HB2' ' A' ' 4' ' ' ARG . 0.2 OUTLIER 63.74 136.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.462 0.161 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.27 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -136.46 -40.07 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 7' ' ' ILE . 6.2 ttpt -164.44 115.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.763 ' O ' HD13 ' A' ' 7' ' ' ILE . 26.6 t -85.95 127.28 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 6' ' ' SER . 35.0 mm -132.06 114.84 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -136.12 95.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 15' ' ' PHE . 2.5 mt -127.85 147.09 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.36 -148.53 24.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 61.63 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.535 2.157 . . . . 0.0 112.253 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.72 104.74 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.576 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -173.89 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -126.44 176.56 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.67 123.9 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.797 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -129.79 112.0 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -137.43 114.62 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -124.71 171.98 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.53 -148.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -110.15 177.52 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 110.772 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.307 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.331 0.586 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -150.32 -169.52 3.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.046 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -153.36 78.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 111.274 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.93 61.29 6.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.1 0.476 . . . . 0.0 110.642 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 mm -89.96 116.64 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.339 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -136.67 106.28 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 10' ' ' GLY . 21.9 mt -113.13 158.57 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -113.81 -129.05 4.84 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.498 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.9 -23.93 40.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.458 2.105 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.21 76.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.688 0.28 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.82 105.27 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.33 88.06 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -123.17 134.47 54.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.007 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -147.06 135.38 21.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.4 p -114.01 162.02 16.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.77 164.19 12.6 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.325 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -164.21 -163.72 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 110.643 -179.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.9 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.135 179.88 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' HG2' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -104.28 152.32 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 125.56 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -127.0 108.57 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.616 ' CG2' HD11 ' A' ' 9' ' ' ILE . 3.9 mt -115.88 138.68 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.438 . . . . 0.0 111.352 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -114.23 99.14 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 7' ' ' ILE . 1.5 mp -120.52 134.2 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.65 -141.2 11.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -51.76 -24.49 18.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.463 2.109 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 84.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.22 -41.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.9 138.59 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.75 78.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.21 125.93 35.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -113.11 99.86 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -150.09 153.17 35.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.44 -96.07 0.15 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.593 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 2.3 mm-40 -123.66 163.75 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.68 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.195 0.521 . . . . 0.0 111.024 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.724 HG23 ' HB ' ' A' ' 21' ' ' ILE . 85.0 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.939 0.399 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -149.91 -165.74 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.837 ' HE2' HD11 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -58.44 102.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -95.82 142.38 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.837 HD11 ' HE2' ' A' ' 5' ' ' LYS . 29.3 mm -135.08 131.03 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CE1' ' CB ' ' A' ' 16' ' ' TYR . 8.0 p80 -136.06 134.61 38.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 14' ' ' ALA . 25.6 mt -137.9 153.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.95 -177.39 34.96 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.72 -24.54 34.74 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.507 2.138 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.42 -87.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -177.06 84.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -137.02 100.16 4.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' A' ' 9' ' ' ILE . 9.6 m-85 -89.98 120.91 31.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' CB ' ' CE1' ' A' ' 8' ' ' HIS . 2.3 m-85 -126.39 111.25 14.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -110.25 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -145.24 144.45 30.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.96 -162.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.621 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.72 -169.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.724 ' HB ' HG23 ' A' ' 3' ' ' THR . 26.2 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.272 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 21' ' ' ILE . 1.3 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.706 0.289 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.6 0.23 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.118 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 57.63 106.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.842 0.353 . . . . 0.0 111.109 -179.776 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 111.55 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.568 HG22 HD11 ' A' ' 9' ' ' ILE . 3.5 mt -125.23 137.03 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 111.336 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -127.08 117.11 21.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 7' ' ' ILE . 3.6 mp -125.37 158.92 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.232 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -145.73 -156.76 7.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.02 -24.02 18.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.33 -153.26 7.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -138.29 30.8 2.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.51 131.56 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -104.56 102.6 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.0 106.92 18.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.1 p -115.02 107.36 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.4 p -149.99 178.73 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.34 171.96 0.14 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.555 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.729 ' O ' HD13 ' A' ' 21' ' ' ILE . 1.8 mm-40 57.3 167.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.667 0.27 . . . . 0.0 110.564 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 20' ' ' GLU . 22.5 mm . . . . . 0 C--N 1.332 -0.175 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -100.16 -160.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 119.5 39.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.838 0.352 . . . . 0.0 110.744 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.09 136.24 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.046 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' TYR . 34.3 mt -148.83 140.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -130.3 85.55 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 14' ' ' ALA . 11.3 pt -117.51 151.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.5 177.92 23.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.18 88.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.574 2.183 . . . . 0.0 112.379 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.18 -119.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -163.21 38.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -120.3 116.02 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.19 138.98 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 7' ' ' ILE . 9.5 m-85 -137.12 77.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -99.29 116.91 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.6 t -149.99 163.24 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.82 135.31 15.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.71 75.4 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.729 HG22 ' HB ' ' A' ' 21' ' ' ILE . 19.2 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.952 0.405 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -146.17 1.93 0.87 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.048 -178.833 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 58.8 86.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.453 -179.805 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.584 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -61.31 110.71 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.358 -179.569 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 6' ' ' SER . 28.3 mm -140.92 85.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.79 179.593 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.704 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -100.1 144.21 29.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.655 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 8' ' ' HIS . 24.6 mm -144.35 142.79 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.875 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.07 -88.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.68 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.61 -23.56 63.7 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.643 2.229 . . . . 0.0 112.455 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.82 -26.22 25.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -96.12 27.46 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.11 111.54 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -119.0 85.29 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.31 128.74 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 p -142.08 144.02 33.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -116.83 143.02 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.13 125.89 25.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.79 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 4.0 mm-40 -120.13 157.07 29.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HG22 ' A' ' 3' ' ' THR . 28.4 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.937 0.398 . . . . 0.0 111.333 -179.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 120.87 7.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.475 -179.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 47.82 93.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.551 ' CB ' HG22 ' A' ' 18' ' ' THR . 6.3 m -79.05 79.99 5.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.533 HG22 HD11 ' A' ' 9' ' ' ILE . 36.1 mm -104.88 98.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 125.93 49.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 HG22 ' A' ' 7' ' ' ILE . 3.9 mp -137.65 145.64 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.7 166.21 21.96 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.27 105.01 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.96 47.84 36.49 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -120.56 -178.1 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.632 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . . . -91.45 -168.19 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.62 108.23 16.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.632 ' CZ ' ' HB3' ' A' ' 14' ' ' ALA . 11.0 m-85 -115.9 122.82 46.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -139.26 126.83 21.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.551 HG22 ' CB ' ' A' ' 6' ' ' SER . 10.8 t -122.96 -172.57 2.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.5 -159.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.928 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -110.15 -71.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.409 . . . . 0.0 111.178 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.428 179.707 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.51 124.88 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.762 ' HD2' HD11 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 54.21 88.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.5 99.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.762 HD11 ' HD2' ' A' ' 5' ' ' LYS . 47.6 mt -128.66 141.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.24 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.82 97.9 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.431 HG13 HG22 ' A' ' 7' ' ' ILE . 32.1 mt -139.65 123.34 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.8 -76.79 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.02 -24.9 20.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.596 2.198 . . . . 0.0 112.37 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.05 81.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -44.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.53 144.89 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.13 98.95 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 7' ' ' ILE . 13.0 m-85 -102.56 102.38 12.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 p -118.69 113.58 21.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 167.51 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.63 -151.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.447 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -98.58 -178.06 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.74 0.305 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' HG2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -91.85 163.91 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 179.849 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -117.19 160.72 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HD13 ' A' ' 7' ' ' ILE . 1.2 t -133.17 120.47 21.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.523 HD12 HG22 ' A' ' 17' ' ' THR . 36.8 mm -128.68 120.63 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.282 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -149.64 85.09 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.646 HG21 ' HA ' ' A' ' 15' ' ' PHE . 5.4 pt -129.09 -179.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.55 16.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 101.66 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.532 2.154 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.71 -104.22 0.17 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -165.95 32.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.32 164.67 12.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.646 ' HA ' HG21 ' A' ' 9' ' ' ILE . 3.5 m-85 -150.0 126.91 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' HD1' HG22 ' A' ' 9' ' ' ILE . 54.1 m-85 -127.16 90.65 3.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 HD12 ' A' ' 7' ' ' ILE . 5.5 p -130.56 113.92 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.968 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -136.66 141.61 43.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.24 155.96 52.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' CB ' ' HG2' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -137.55 128.64 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.876 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 21' ' ' ILE . 7.1 tt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.032 0.444 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.75 -40.58 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.205 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' CD ' HD11 ' A' ' 7' ' ' ILE . 3.6 ttmt -151.59 90.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.757 ' O ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -76.18 107.29 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 16' ' ' TYR . 34.6 mt -135.88 143.29 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -132.04 87.82 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.58 99.89 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.62 -97.72 0.24 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 86.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.85 -123.32 2.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -175.87 52.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.983 0.421 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.12 -175.85 2.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CD1' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER -147.45 82.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 7' ' ' ILE . 10.9 m-85 -96.97 93.25 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 15' ' ' PHE . 52.2 p -106.68 126.8 52.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 6' ' ' SER . 9.5 t -144.21 155.74 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.39 -165.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.579 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -76.8 175.97 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.796 0.331 . . . . 0.0 110.665 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.255 179.966 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 20' ' ' GLU . 14.2 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.868 0.366 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 158.19 17.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 -179.702 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.609 ' CE ' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -70.43 164.28 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.184 -179.818 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -139.59 85.86 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.753 179.899 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.609 HD11 ' CE ' ' A' ' 5' ' ' LYS . 18.8 mm -90.0 103.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -110.31 86.83 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.459 HD13 ' CD1' ' A' ' 15' ' ' PHE . 21.1 mt -141.32 141.28 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.32 -126.81 5.94 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.447 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.87 -24.65 19.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.443 2.095 . . . . 0.0 112.418 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.84 86.6 0.92 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -157.32 -51.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.2 120.6 37.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CD1' HD13 ' A' ' 9' ' ' ILE . 10.6 m-85 -109.08 75.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -123.78 114.1 19.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.537 HG21 HD13 ' A' ' 7' ' ' ILE . 4.8 p -136.37 125.32 24.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.89 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 p -112.1 -167.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.62 175.84 20.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -112.52 129.96 56.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.953 -179.932 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.889 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.118 0.485 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.96 58.94 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.973 -179.142 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.28 162.05 15.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.99 82.65 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.408 HD13 ' CG2' ' A' ' 17' ' ' THR . 33.9 mm -93.16 105.69 17.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -125.58 95.9 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 14' ' ' ALA . 4.7 mt -117.57 136.84 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.75 178.07 29.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.18 -24.95 21.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.547 2.164 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.0 -128.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.643 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -147.58 40.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 9' ' ' ILE . . . -89.92 137.21 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -123.5 99.53 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -137.96 119.67 15.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.408 ' CG2' HD13 ' A' ' 7' ' ' ILE . 10.6 p -141.92 138.57 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 p -127.14 -162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.46 174.55 28.76 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.577 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.35 91.71 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.032 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 -179.805 . . . . . . . . 2 2 . 1 stop_ save_