data_2lkj_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 2lkj _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 ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.835 0.35 . . . . 74.42 110.867 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.938 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.72 11.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.448 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.38 -45.75 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 71.44 110.899 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.913 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -66.49 -36.82 83.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 73.41 110.924 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.66 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.87 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -23.98 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.53 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.55 -34.02 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.925 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -75.82 -26.08 56.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.94 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.35 -37.42 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.86 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ptm -84.54 -14.02 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.368 . . . . 72.22 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 71.55 112.482 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 71.03 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.5 108.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 71.35 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.4 11.33 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 74.15 112.477 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.08 -45.74 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 65.34 110.905 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.69 -27.47 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.862 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -66.25 -36.72 83.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -32.65 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 72.44 110.885 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.54 -23.68 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.75 -33.96 24.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.913 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -76.96 -24.87 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 74.34 110.854 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -77.59 -35.1 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 72.31 110.844 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ptp -84.06 -23.67 30.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 mtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.898 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.893 0.378 . . . . 73.43 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 73.11 112.484 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 73.41 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.09 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.928 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.55 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 74.34 112.494 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.19 -45.74 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 72.11 110.894 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.0 p90 -81.79 -27.33 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -66.39 -36.73 83.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 71.1 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -83.36 -32.53 26.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.01 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -23.59 45.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.95 -33.95 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.952 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -79.55 -21.84 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 75.25 110.887 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.12 -26.55 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.868 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.3 ptm -89.53 -26.55 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.845 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 72.15 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.904 0.383 . . . . 72.11 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 72.34 112.48 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 71.14 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.55 107.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.17 -23.91 11.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 74.42 112.532 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.57 -45.68 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 75.11 110.848 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.4 p90 -81.57 -27.07 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.869 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 65.33 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.8 -32.82 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -23.17 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.88 -34.78 24.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.14 110.95 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -79.18 -21.01 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -82.86 -27.08 31.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.822 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.0 ptp -89.52 -23.68 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.883 0.373 . . . . 74.31 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 71.4 112.507 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.801 0.334 . . . . 70.43 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.42 108.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.939 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.34 -23.39 11.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 71.11 112.473 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.69 11.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 75.32 110.899 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.3 p90 -81.69 -27.3 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.852 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.03 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 -32.71 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.29 -23.89 46.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.05 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.46 -34.43 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.953 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -74.32 -27.68 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 73.21 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -40.7 65.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.892 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -13.88 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.849 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.89 0.376 . . . . 74.04 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 75.02 112.497 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 71.51 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.59 108.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 72.52 110.928 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.39 11.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 73.23 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.75 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 75.24 110.89 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 74.41 110.843 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.32 -36.63 83.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.43 -32.58 26.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.64 -23.71 45.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.887 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.71 -33.86 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.949 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -76.33 -25.93 55.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 74.31 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -77.51 -38.34 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.824 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -84.02 -13.42 53.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 71.23 110.87 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.858 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.896 0.379 . . . . 73.31 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.47 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 73.23 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -50.01 108.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.86 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.36 -23.8 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 55.14 112.487 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.9 -46.18 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 74.4 110.845 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.5 p90 -83.12 -25.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.92 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -68.01 -34.28 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 74.33 110.869 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.04 -31.09 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -78.89 -28.71 44.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 75.25 110.913 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -83.32 -28.62 28.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.936 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -81.42 -22.13 38.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.895 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -80.79 -34.32 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.888 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.8 ptm -83.67 -25.46 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.0 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.874 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.885 0.374 . . . . 75.34 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 60.42 112.489 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 74.33 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.16 108.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.904 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.46 -23.41 11.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 71.14 112.486 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.03 -45.72 11.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 73.41 110.874 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.7 p90 -81.85 -27.39 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 74.34 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.38 -36.06 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -32.09 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 73.33 110.881 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -25.29 45.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -83.76 -32.05 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -26.67 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.9 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.81 -40.03 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.25 110.851 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.56 -20.69 42.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 74.25 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 74.23 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 35.34 112.518 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 74.4 110.868 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.74 107.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 71.1 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.23 -23.69 11.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 74.35 112.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.4 -45.73 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 74.23 110.906 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.65 -27.15 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.13 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -37.16 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.887 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 -83.02 -32.81 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -23.58 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.916 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.43 -35.1 25.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.92 -27.7 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.895 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.88 -40.82 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -23.72 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mtp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.88 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.892 0.377 . . . . 75.15 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 71.11 112.468 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 75.25 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.91 107.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.13 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.22 -23.69 11.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 22.54 112.507 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.43 -45.74 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 73.41 110.833 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.87 -27.02 33.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.884 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -66.41 -36.93 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 71.22 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.32 -32.58 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.84 46.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.76 -34.44 24.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.933 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -77.46 -22.69 50.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 73.43 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.9 -38.28 32.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.871 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 ttp -71.11 -33.84 70.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.824 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.8 ptm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.885 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.885 0.374 . . . . 72.55 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 52.32 112.505 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.33 . . . . 72.41 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.83 107.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.879 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.68 11.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.448 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.22 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.9 -26.99 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.839 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.43 -36.85 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.53 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -83.33 -32.61 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.829 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.43 -23.76 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.53 110.932 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.8 -34.17 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -77.37 -23.75 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 64.32 110.885 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.81 -33.74 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.889 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.48 -26.09 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.875 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.363 . . . . 55.12 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.731 . . . . 74.01 112.449 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 75.34 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.5 108.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.28 -23.39 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 61.31 112.505 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.7 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 73.12 110.902 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.1 p90 -81.62 -27.5 34.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 74.01 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.06 -36.99 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -83.06 -32.9 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.1 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -23.52 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.4 110.867 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.51 -35.08 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.13 110.89 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.96 -27.54 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 71.34 110.952 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -40.75 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.847 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.57 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.873 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.844 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.843 0.354 . . . . 54.23 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 65.54 112.48 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.784 0.326 . . . . 72.34 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.89 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.927 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.7 11.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.41 112.439 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.37 -45.76 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 74.42 110.884 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.77 -27.1 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -66.42 -36.89 83.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.919 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 -32.62 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.54 110.913 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -23.74 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.95 -33.8 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.94 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -22.32 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.64 -30.37 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.849 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.2 ptm -84.19 -34.86 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 71.31 110.887 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.55 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.921 0.391 . . . . 75.24 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 75.12 112.455 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 73.4 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.8 107.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.19 -23.69 11.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 42.32 112.487 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.39 -45.71 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 74.34 110.863 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.67 -27.22 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.05 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.865 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.05 -32.69 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.87 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.48 -23.19 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.8 -34.77 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -76.85 -24.11 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.923 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.47 -33.59 54.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.7 ptm -83.87 -25.45 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.916 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.894 0.378 . . . . 62.1 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 61.51 112.447 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 70.02 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.79 107.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 62.31 110.917 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.73 11.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 64.41 112.487 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.36 -45.74 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 73.2 110.889 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.436 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.67 -27.14 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.87 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.13 84.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 75.02 110.885 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 -32.77 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.55 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.41 -34.88 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.942 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -74.02 -27.91 61.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 72.35 110.874 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.79 -40.8 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.35 110.845 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.11 -16.35 53.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.861 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.873 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.91 0.386 . . . . 70.25 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 71.42 112.467 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 74.23 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.89 107.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.893 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.69 11.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 61.35 112.5 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.34 -45.77 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 75.55 110.928 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.61 -27.3 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -36.99 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.899 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -32.8 26.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.856 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -23.15 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.932 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.83 -34.56 24.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.911 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -77.93 -23.85 48.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.916 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.91 -33.9 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -81.14 -35.13 31.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.842 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.849 0.357 . . . . 75.13 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 74.42 112.487 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 74.22 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.5 107.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.901 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.26 -23.96 10.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 62.42 112.475 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.62 -45.64 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 73.25 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.78 -26.64 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.23 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.46 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.864 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -32.58 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.864 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.09 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 71.3 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.62 -34.43 25.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.983 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -77.27 -23.02 51.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.913 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -79.74 -38.39 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.05 -32.56 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.838 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.866 0.365 . . . . 74.23 110.931 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 71.3 112.523 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 74.42 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.55 108.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.891 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.41 11.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.764 . . . . 73.34 112.495 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.74 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 72.32 110.878 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.38 -27.86 34.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.919 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -36.68 83.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.13 110.891 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -82.94 -32.84 26.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 74.34 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -22.89 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.99 -34.36 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.943 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.62 -23.32 45.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 71.3 110.919 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.7 -31.78 31.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.23 110.829 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtt -82.01 -36.17 28.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.2 ppp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 75.55 110.903 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.904 0.383 . . . . 74.24 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.788 0.328 . . . . 71.44 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.03 107.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 75.21 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.21 -23.53 11.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 74.32 112.501 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.28 -45.67 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 74.41 110.891 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.65 -27.47 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.863 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -36.88 84.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 73.34 110.921 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -32.73 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.904 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.6 -22.96 46.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 75.13 110.947 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.94 -34.72 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 75.35 110.969 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -22.22 47.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 64.15 110.873 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.96 -31.94 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.54 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtt -81.8 -36.8 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.886 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.864 0.364 . . . . 73.45 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 74.43 112.488 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.81 0.338 . . . . 73.01 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.56 108.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.31 -23.36 11.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 75.55 112.433 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.13 -45.65 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 75.43 110.905 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.78 -27.4 33.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.888 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -66.3 -36.69 83.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.909 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -83.38 -32.54 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.884 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -78.62 -23.43 45.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.939 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -84.0 -34.06 24.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.932 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -79.22 -23.47 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 75.34 110.897 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.18 -30.69 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.3 ptm -83.41 -35.87 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.865 0.365 . . . . 73.45 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 54.31 112.517 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.835 0.35 . . . . 74.42 110.867 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.938 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.72 11.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.448 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.38 -45.75 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 71.44 110.899 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.913 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -66.49 -36.82 83.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 73.41 110.924 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.66 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.87 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -23.98 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.53 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.55 -34.02 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.925 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -75.82 -26.08 56.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.94 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.35 -37.42 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.86 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ptm -84.54 -14.02 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.495 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.93 -21.95 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.905 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 19.4 mt-10 -90.04 -38.3 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.22 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.83 16.21 37.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 71.55 112.482 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.12 -64.79 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.726 . . . . 73.21 112.47 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.2 Cg_endo -69.82 173.51 10.92 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.679 2.253 . . . . 75.4 112.33 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.74 66.35 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 75.12 112.354 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 42.56 75.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 63.04 112.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.03 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 72.45 111.109 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.76 125.45 29.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.668 0.746 . . . . 65.14 110.92 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 82.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 70.13 112.374 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' C ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.903 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 71.03 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.5 108.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 71.35 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.4 11.33 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 74.15 112.477 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.08 -45.74 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 65.34 110.905 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.69 -27.47 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.862 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -66.25 -36.72 83.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -32.65 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 72.44 110.885 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.54 -23.68 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.75 -33.96 24.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.913 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -76.96 -24.87 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 74.34 110.854 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -77.59 -35.1 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 72.31 110.844 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ptp -84.06 -23.67 30.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 mtt -76.11 -7.02 53.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.92 -35.1 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 73.43 110.902 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.78 12.39 56.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 73.11 112.484 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.88 -63.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 72.54 112.518 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.79 172.31 12.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 71.21 112.364 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.76 63.57 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.261 . . . . 62.1 112.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.74 41.22 56.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 72.02 112.51 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.54 -64.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.736 0.303 . . . . 70.32 111.072 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.3 110.89 53.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 74.41 110.88 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 110.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 73.14 112.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.943 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 73.41 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.09 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.928 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.55 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 74.34 112.494 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.19 -45.74 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 72.11 110.894 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.0 p90 -81.79 -27.33 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -66.39 -36.73 83.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 71.1 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -83.36 -32.53 26.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.01 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -23.59 45.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.95 -33.95 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.952 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -79.55 -21.84 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 75.25 110.887 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.12 -26.55 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.868 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.3 ptm -89.53 -26.55 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.845 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -6.81 52.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 72.15 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -98.63 -35.24 10.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.482 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.56 12.55 56.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 72.34 112.48 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.95 -63.54 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 72.32 112.521 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.75 172.28 12.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 73.42 112.361 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.2 Cg_endo -69.68 63.52 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 75.53 112.369 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.71 41.1 57.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 73.34 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.51 -64.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 65.4 111.102 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 111.21 52.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 72.22 110.896 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 65.21 112.342 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 71.54 110.88 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 71.14 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.55 107.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.17 -23.91 11.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 74.42 112.532 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.57 -45.68 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 75.11 110.848 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.4 p90 -81.57 -27.07 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.869 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 65.33 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.8 -32.82 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -23.17 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.88 -34.78 24.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.14 110.95 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -79.18 -21.01 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -82.86 -27.08 31.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.822 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.0 ptp -89.52 -23.68 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -7.03 56.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.874 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.84 -34.5 9.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.893 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.488 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.79 13.19 58.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 71.4 112.507 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.82 -63.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 54.4 112.494 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.81 172.42 12.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 2.215 . . . . 64.14 112.323 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.77 63.47 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 62.23 112.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.77 41.29 56.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 32.45 112.488 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.33 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 53.51 111.11 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -112.43 109.95 53.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.672 0.749 . . . . 73.31 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 75.43 112.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.928 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.801 0.334 . . . . 70.43 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.42 108.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.939 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.34 -23.39 11.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 71.11 112.473 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.69 11.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 75.32 110.899 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.3 p90 -81.69 -27.3 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.852 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.03 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 -32.71 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.29 -23.89 46.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.05 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.46 -34.43 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.953 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -74.32 -27.68 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 73.21 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -40.7 65.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.892 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -13.88 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.849 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.485 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -72.76 -22.5 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.871 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -89.99 -38.15 13.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.04 110.893 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.84 16.07 37.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 75.02 112.497 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.1 -64.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 63.11 112.461 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.8 173.49 10.94 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.265 . . . . 75.12 112.311 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.9 Cg_endo -69.7 66.39 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 75.43 112.338 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.02 42.61 76.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 73.33 112.466 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 18' ' ' PRO . . . -96.95 -64.13 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 74.44 111.135 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.91 125.33 30.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 75.12 110.89 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 82.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 73.41 112.335 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.485 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.5 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.872 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 71.51 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.59 108.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 72.52 110.928 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.39 11.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 73.23 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.75 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 75.24 110.89 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 74.41 110.843 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.32 -36.63 83.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.43 -32.58 26.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.64 -23.71 45.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.887 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.71 -33.86 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.949 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -76.33 -25.93 55.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 74.31 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -77.51 -38.34 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.824 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -84.02 -13.42 53.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 71.23 110.87 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.482 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.6 -24.15 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.858 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 35.1 mt-10 -89.5 -37.89 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.912 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.508 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 60.07 15.63 37.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.47 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.14 -64.56 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 61.53 112.492 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.508 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.76 173.54 10.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 73.3 112.347 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.2 Cg_endo -69.75 66.51 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 74.34 112.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.01 42.53 77.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 55.31 112.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 18' ' ' PRO . . . -97.02 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.715 0.293 . . . . 73.35 111.072 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.76 125.27 30.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 74.15 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.07 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 74.15 112.356 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.482 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.2 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 73.23 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -50.01 108.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.86 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.36 -23.8 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 55.14 112.487 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.9 -46.18 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 74.4 110.845 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.5 p90 -83.12 -25.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.92 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -68.01 -34.28 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 74.33 110.869 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.04 -31.09 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -78.89 -28.71 44.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 75.25 110.913 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -83.32 -28.62 28.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.936 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -81.42 -22.13 38.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.895 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -80.79 -34.32 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.888 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.8 ptm -83.67 -25.46 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.505 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 45.0 mtp -72.31 -11.25 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 2.9 mt-10 -90.5 -38.47 13.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.885 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.466 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.88 21.68 38.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 60.42 112.489 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.51 -67.81 0.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.482 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' O ' ' A' ' 15' ' ' GLU . 53.5 Cg_endo -69.75 173.42 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.256 . . . . 65.34 112.334 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.75 63.97 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 73.33 112.365 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.46 74.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 52.53 112.48 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.98 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.13 111.052 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -115.69 145.92 35.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 73.22 110.874 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.8 Cg_endo -69.71 136.18 32.46 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 74.24 112.385 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' C ' ' O ' ' A' ' 23' ' ' PRO . 1.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 74.34 110.893 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 74.33 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.16 108.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.904 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.46 -23.41 11.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 71.14 112.486 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.03 -45.72 11.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 73.41 110.874 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.7 p90 -81.85 -27.39 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 74.34 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.38 -36.06 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -32.09 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 73.33 110.881 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -25.29 45.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -83.76 -32.05 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -26.67 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.9 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.81 -40.03 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.25 110.851 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.56 -20.69 42.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.523 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -74.08 -12.1 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 74.25 110.894 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 9.2 pt-20 -93.04 -38.56 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.14 17.65 38.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 35.34 112.518 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.26 -65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 73.13 112.542 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.77 173.36 11.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 73.13 112.328 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.73 66.09 1.76 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.695 2.263 . . . . 63.42 112.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.03 42.48 77.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 71.1 112.462 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.8 -64.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 72.12 111.109 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.23 126.17 28.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 74.4 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 83.72 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 74.54 112.375 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.523 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.9 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.935 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 74.4 110.868 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.74 107.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 71.1 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.23 -23.69 11.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 74.35 112.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.4 -45.73 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 74.23 110.906 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.65 -27.15 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.13 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -37.16 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.887 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 -83.02 -32.81 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -23.58 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.916 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.43 -35.1 25.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.92 -27.7 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.895 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.88 -40.82 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -23.72 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mtp -75.5 -7.34 53.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.88 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -98.91 -35.37 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 75.15 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 66.15 11.91 56.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 71.11 112.468 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.99 -63.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 72.44 112.466 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.48 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 54.2 Cg_endo -69.72 172.4 12.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 73.53 112.367 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.1 Cg_endo -69.8 63.7 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 73.21 112.325 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.61 41.18 57.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 62.04 112.51 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.33 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.43 111.082 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 110.56 52.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 65.35 110.883 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 108.36 2.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 72.12 112.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.901 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 75.25 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.91 107.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.13 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.22 -23.69 11.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 22.54 112.507 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.43 -45.74 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 73.41 110.833 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.87 -27.02 33.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.884 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -66.41 -36.93 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 71.22 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.32 -32.58 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.84 46.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.76 -34.44 24.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.933 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -77.46 -22.69 50.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 73.43 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.9 -38.28 32.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.871 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 ttp -71.11 -33.84 70.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.824 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.8 ptm -77.07 -6.48 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.885 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 1.1 mp0 -100.78 -35.37 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.55 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.06 14.21 58.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 52.32 112.505 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.65 -63.66 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 73.15 112.491 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.7 Cg_endo -69.71 172.56 12.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 63.15 112.359 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.76 63.82 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.762 2.308 . . . . 65.45 112.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.34 41.28 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 73.14 112.509 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.16 -64.67 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 64.11 111.106 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.83 109.45 52.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 74.31 110.897 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.64 2.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.24 . . . . 75.31 112.354 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 64.1 110.957 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.33 . . . . 72.41 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.83 107.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.879 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.68 11.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.448 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.22 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.9 -26.99 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.839 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.43 -36.85 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.53 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -83.33 -32.61 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.829 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.43 -23.76 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.53 110.932 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.8 -34.17 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -77.37 -23.75 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 64.32 110.885 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.81 -33.74 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.889 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.48 -26.09 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.875 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.514 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.6 -10.13 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.891 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 pt-20 -90.83 -38.62 12.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 55.12 110.911 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.95 20.93 35.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.731 . . . . 74.01 112.449 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.69 -67.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.48 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 15' ' ' GLU . 54.1 Cg_endo -69.75 173.37 11.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 72.42 112.353 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.8 Cg_endo -69.81 64.35 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 71.41 112.315 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.01 43.36 82.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 74.11 112.482 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.12 -68.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 64.21 111.147 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -115.6 145.75 35.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.679 0.752 . . . . 73.32 110.89 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.6 Cg_endo -69.76 136.53 33.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 74.15 112.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 23' ' ' PRO . 6.5 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.933 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 75.34 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.5 108.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.28 -23.39 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 61.31 112.505 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.7 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 73.12 110.902 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.1 p90 -81.62 -27.5 34.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 74.01 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.06 -36.99 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -83.06 -32.9 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.1 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -23.52 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.4 110.867 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.51 -35.08 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.13 110.89 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.96 -27.54 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 71.34 110.952 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -40.75 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.847 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.57 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.873 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mtt -77.68 -7.41 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.844 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 -34.99 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 54.23 110.881 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.482 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 66.13 12.75 58.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 65.54 112.48 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.87 -63.22 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.788 -0.72 . . . . 70.53 112.495 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.9 Cg_endo -69.7 172.45 12.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 71.33 112.35 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.1 Cg_endo -69.76 63.69 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 62.22 112.36 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.69 41.18 57.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 62.43 112.493 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.05 -64.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 64.22 111.12 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.47 109.17 53.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 73.31 110.862 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 108.1 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.252 . . . . 71.34 112.366 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.924 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.784 0.326 . . . . 72.34 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.89 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.927 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.7 11.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.41 112.439 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.37 -45.76 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 74.42 110.884 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.77 -27.1 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -66.42 -36.89 83.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.919 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 -32.62 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.54 110.913 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -23.74 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.95 -33.8 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.94 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -22.32 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.64 -30.37 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.849 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.2 ptm -84.19 -34.86 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 71.31 110.887 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.541 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -70.51 -5.59 29.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.55 110.874 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 20.7 mt-10 -97.91 -38.01 9.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.943 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.74 20.0 23.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 75.12 112.455 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.71 -67.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 64.34 112.452 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.478 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.6 Cg_endo -69.71 173.6 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 75.31 112.341 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.3 Cg_endo -69.74 63.87 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 73.01 112.404 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 44.15 62.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 75.22 112.45 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.9 -69.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 73.32 111.1 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.98 143.01 30.03 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.626 0.726 . . . . 65.14 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.77 136.42 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 62.11 112.34 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.541 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 7.3 tm0? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.895 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 73.4 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.8 107.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.19 -23.69 11.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 42.32 112.487 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.39 -45.71 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 74.34 110.863 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.67 -27.22 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.05 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.865 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.05 -32.69 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.87 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.48 -23.19 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.8 -34.77 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -76.85 -24.11 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.923 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.47 -33.59 54.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.7 ptm -83.87 -25.45 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.916 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.505 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.2 -11.09 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.904 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 32.3 mt-10 -90.61 -38.64 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 62.1 110.858 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.93 21.92 39.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 61.51 112.447 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.49 -67.93 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 74.13 112.46 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.75 173.51 10.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 72.23 112.369 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.4 Cg_endo -69.75 63.99 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 71.34 112.357 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.72 43.65 74.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 50.53 112.464 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.96 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 63.12 111.089 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.75 146.3 36.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 75.54 110.835 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 24' ' ' GLN . 54.1 Cg_endo -69.8 136.69 33.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 74.1 112.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.512 ' C ' ' O ' ' A' ' 23' ' ' PRO . 2.8 tp-100 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.939 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 70.02 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.79 107.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 62.31 110.917 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.73 11.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 64.41 112.487 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.36 -45.74 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 73.2 110.889 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.436 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.67 -27.14 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.87 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.13 84.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 75.02 110.885 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 -32.77 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.55 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.41 -34.88 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.942 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -74.02 -27.91 61.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 72.35 110.874 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.79 -40.8 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.35 110.845 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.11 -16.35 53.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.861 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.473 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 1.6 mtt -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 2.3 pt-20 -93.53 -37.81 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 70.25 110.905 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.488 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 60.15 16.18 40.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 71.42 112.467 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.51 -64.77 0.51 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 73.33 112.472 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.6 Cg_endo -69.73 173.34 11.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.286 . . . . 54.32 112.318 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 64.44 112.366 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.88 42.26 79.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 74.12 112.473 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.76 -64.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 72.21 111.098 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.23 122.37 35.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 72.43 110.936 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 81.79 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 74.25 112.364 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.473 ' C ' ' HA ' ' A' ' 13' ' ' MET . 40.8 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 75.53 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 74.23 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.89 107.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.893 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.69 11.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 61.35 112.5 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.34 -45.77 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 75.55 110.928 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.61 -27.3 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -36.99 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.899 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -32.8 26.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.856 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -23.15 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.932 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.83 -34.56 24.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.911 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -77.93 -23.85 48.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.916 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.91 -33.9 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -81.14 -35.13 31.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.519 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 8.2 mtt -69.93 -5.43 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 13.8 mt-10 -98.45 -37.89 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 75.13 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.9 19.73 23.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 74.42 112.487 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.77 -67.71 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 65.35 112.512 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.478 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.6 Cg_endo -69.77 173.54 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.3 112.351 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 63.79 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 74.42 112.328 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.1 62.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 62.24 112.441 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.01 -69.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 75.21 111.085 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.87 142.71 29.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.734 . . . . 74.42 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.6 Cg_endo -69.74 136.01 31.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 74.42 112.375 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.519 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 1.9 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.918 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 74.22 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.5 107.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.901 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.26 -23.96 10.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 62.42 112.475 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.62 -45.64 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 73.25 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.78 -26.64 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.23 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.46 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.864 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -32.58 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.864 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.09 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 71.3 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.62 -34.43 25.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.983 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -77.27 -23.02 51.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.913 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -79.74 -38.39 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.05 -32.56 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.838 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -6.98 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.871 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -35.64 9.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.931 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.484 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.76 12.04 55.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 71.3 112.523 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.71 -62.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 73.14 112.529 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.484 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.9 Cg_endo -69.79 172.68 12.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.744 2.296 . . . . 75.51 112.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.7 63.86 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 75.44 112.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.83 64.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 61.32 112.497 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.34 -65.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 63.33 111.112 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.31 109.0 51.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 65.15 110.916 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 113.37 3.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.61 2.207 . . . . 75.43 112.373 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 72.02 110.904 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 74.42 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.55 108.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.891 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.41 11.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.764 . . . . 73.34 112.495 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.74 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 72.32 110.878 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.38 -27.86 34.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.919 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -36.68 83.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.13 110.891 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -82.94 -32.84 26.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 74.34 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -22.89 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.99 -34.36 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.943 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.62 -23.32 45.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 71.3 110.919 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.7 -31.78 31.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.23 110.829 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtt -82.01 -36.17 28.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.527 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 2.2 ppp? -69.78 -5.37 24.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 75.55 110.903 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 1.7 mt-10 -98.43 -37.97 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.84 19.74 22.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.78 -67.73 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 54.14 112.453 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.82 173.55 10.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 73.03 112.324 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.71 63.79 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 72.14 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.08 62.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 75.15 112.469 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.95 -69.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 74.54 111.086 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -115.95 142.71 29.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.704 0.764 . . . . 73.13 110.891 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.77 136.06 32.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.689 2.259 . . . . 71.13 112.35 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.527 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 1.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.788 0.328 . . . . 71.44 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.03 107.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 75.21 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.21 -23.53 11.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 74.32 112.501 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.28 -45.67 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 74.41 110.891 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.65 -27.47 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.863 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -36.88 84.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 73.34 110.921 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -32.73 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.904 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.6 -22.96 46.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 75.13 110.947 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.94 -34.72 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 75.35 110.969 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -22.22 47.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 64.15 110.873 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.96 -31.94 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.54 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtt -81.8 -36.8 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.534 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -68.71 -5.66 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.886 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 9.0 mt-10 -98.44 -38.03 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 73.45 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.29 19.12 23.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 74.43 112.488 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -66.6 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 71.22 112.497 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 174.65 9.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 75.35 112.341 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.8 65.8 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.266 . . . . 73.52 112.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.59 44.87 94.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 70.52 112.459 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.28 -66.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 73.5 111.107 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -114.27 140.64 25.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 74.34 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.8 Cg_endo -69.78 136.17 32.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 75.01 112.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.534 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 8.8 tp-100 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.868 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.81 0.338 . . . . 73.01 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.56 108.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.31 -23.36 11.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 75.55 112.433 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.13 -45.65 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 75.43 110.905 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.78 -27.4 33.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.888 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -66.3 -36.69 83.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.909 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -83.38 -32.54 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.884 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -78.62 -23.43 45.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.939 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -84.0 -34.06 24.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.932 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -79.22 -23.47 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 75.34 110.897 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.18 -30.69 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.3 ptm -83.41 -35.87 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.417 ' HA ' ' HB3' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.06 -4.93 23.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.89 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 36.4 mt-10 -100.1 -37.71 8.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 73.45 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.34 20.18 21.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 54.31 112.517 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.55 -67.79 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 60.11 112.477 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.478 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.74 173.64 10.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 74.24 112.367 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.74 63.99 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 72.33 112.372 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.7 44.08 64.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 74.14 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.0 -69.29 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 62.34 111.076 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.19 142.81 29.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 73.12 110.885 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.77 136.05 31.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 53.42 112.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.954 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.633 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.835 0.35 . . . . 74.42 110.867 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 62.4 110.938 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.72 11.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.448 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.38 -45.75 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 71.44 110.899 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.913 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -66.49 -36.82 83.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 71.1 110.924 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.66 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.87 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -23.98 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 65.3 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.55 -34.02 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.925 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -75.82 -26.08 56.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.94 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.35 -37.42 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.86 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ptm -84.54 -14.02 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.368 . . . . 72.22 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 71.55 112.482 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 64.41 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.5 108.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 61.51 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.4 11.33 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 53.21 112.477 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.08 -45.74 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 64.42 110.905 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.69 -27.47 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.862 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -66.25 -36.72 83.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -32.65 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 72.44 110.885 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.54 -23.68 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.75 -33.96 24.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.913 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -76.96 -24.87 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 74.34 110.854 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -77.59 -35.1 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 65.34 110.844 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ptp -84.06 -23.67 30.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 mtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.898 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.893 0.378 . . . . 65.14 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 65.21 112.484 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 72.13 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.09 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.22 110.928 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.55 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 74.34 112.494 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.19 -45.74 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 61.11 110.894 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.0 p90 -81.79 -27.33 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -66.39 -36.73 83.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -83.36 -32.53 26.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.01 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -23.59 45.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.95 -33.95 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.952 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -79.55 -21.84 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 61.44 110.887 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.12 -26.55 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.868 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.3 ptm -89.53 -26.55 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.845 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 54.02 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.904 0.383 . . . . 63.44 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 51.54 112.48 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 71.11 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.55 107.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 51.11 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.17 -23.91 11.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 61.42 112.532 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.57 -45.68 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 71.12 110.848 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.4 p90 -81.57 -27.07 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 65.24 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.8 -32.82 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -23.17 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.88 -34.78 24.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.95 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -79.18 -21.01 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -82.86 -27.08 31.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.822 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.0 ptp -89.52 -23.68 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.883 0.373 . . . . 74.31 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.507 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.801 0.334 . . . . 70.43 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.42 108.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.03 110.939 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.34 -23.39 11.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.41 112.473 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.69 11.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 63.14 110.899 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.3 p90 -81.69 -27.3 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.852 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 -32.71 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.4 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.29 -23.89 46.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.46 -34.43 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.953 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -74.32 -27.68 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 70.11 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -40.7 65.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 71.35 110.892 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -13.88 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.849 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.89 0.376 . . . . 74.04 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 60.22 112.497 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 71.51 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.59 108.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 70.13 110.928 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.39 11.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 62.04 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.75 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 73.33 110.89 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 74.41 110.843 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.32 -36.63 83.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.43 -32.58 26.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.64 -23.71 45.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 60.31 110.887 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.71 -33.86 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.949 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -76.33 -25.93 55.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 65.51 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -77.51 -38.34 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.824 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -84.02 -13.42 53.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 70.31 110.87 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.858 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.896 0.379 . . . . 73.31 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.47 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 50.44 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -50.01 108.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.86 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.36 -23.8 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 44.41 112.487 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.9 -46.18 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 61.42 110.845 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.5 p90 -83.12 -25.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.92 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -68.01 -34.28 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 72.24 110.869 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.04 -31.09 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -78.89 -28.71 44.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.913 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -83.32 -28.62 28.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.12 110.936 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -81.42 -22.13 38.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.895 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -80.79 -34.32 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.888 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.8 ptm -83.67 -25.46 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.0 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.874 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.885 0.374 . . . . 75.34 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 60.42 112.489 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 61.33 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.16 108.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 63.11 110.904 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.46 -23.41 11.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 61.4 112.486 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.03 -45.72 11.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 73.41 110.874 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.7 p90 -81.85 -27.39 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 61.51 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.38 -36.06 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -32.09 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 70.41 110.881 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -25.29 45.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -83.76 -32.05 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -26.67 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.9 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.81 -40.03 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.25 110.851 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.56 -20.69 42.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 63.23 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 50.42 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 65.31 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 35.34 112.518 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.668 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 71.2 110.868 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.74 107.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 62.34 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.23 -23.69 11.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 73.11 112.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.4 -45.73 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.33 110.906 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.65 -27.15 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.13 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -37.16 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.887 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 -83.02 -32.81 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 61.03 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -23.58 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.916 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.43 -35.1 25.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.92 -27.7 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.895 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.88 -40.82 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -23.72 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mtp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.88 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.892 0.377 . . . . 75.15 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 65.55 112.468 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.664 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 72.33 110.871 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.91 107.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.13 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.22 -23.69 11.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 22.54 112.507 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.43 -45.74 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 61.44 110.833 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.87 -27.02 33.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.884 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -66.41 -36.93 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 65.54 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.32 -32.58 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.84 46.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 63.53 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.76 -34.44 24.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.933 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -77.46 -22.69 50.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 73.43 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.9 -38.28 32.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.871 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 ttp -71.11 -33.84 70.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.824 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.8 ptm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.885 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.885 0.374 . . . . 72.55 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 52.32 112.505 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.628 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.33 . . . . 61.22 110.871 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.83 107.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.879 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.68 11.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.448 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.22 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.9 -26.99 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.839 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.43 -36.85 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.53 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -83.33 -32.61 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.829 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.43 -23.76 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 53.4 110.932 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.8 -34.17 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -77.37 -23.75 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 54.13 110.885 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.81 -33.74 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 64.25 110.889 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.48 -26.09 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.13 110.875 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.363 . . . . 55.12 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.731 . . . . 74.01 112.449 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 72.31 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.5 108.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.28 -23.39 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 41.02 112.505 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.7 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 70.42 110.902 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.1 p90 -81.62 -27.5 34.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 72.02 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.06 -36.99 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -83.06 -32.9 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -23.52 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.867 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.51 -35.08 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.13 110.89 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.96 -27.54 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 70.12 110.952 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -40.75 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.847 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.57 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.873 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.844 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.843 0.354 . . . . 53.13 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 65.54 112.48 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.622 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.784 0.326 . . . . 71.33 110.907 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.89 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 62.53 110.927 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.7 11.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.41 112.439 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.37 -45.76 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 74.42 110.884 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.77 -27.1 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -66.42 -36.89 83.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.919 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 -32.62 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.54 110.913 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -23.74 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 64.42 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.95 -33.8 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.94 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -22.32 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.64 -30.37 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.849 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.2 ptm -84.19 -34.86 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 64.15 110.887 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.921 0.391 . . . . 75.24 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 52.01 112.455 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.675 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 72.52 110.922 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.8 107.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 54.34 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.19 -23.69 11.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 41.23 112.487 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.39 -45.71 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 65.25 110.863 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.67 -27.22 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.05 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 64.05 110.865 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.05 -32.69 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.87 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.48 -23.19 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.8 -34.77 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -76.85 -24.11 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 55.44 110.923 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.47 -33.59 54.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.7 ptm -83.87 -25.45 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.916 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.894 0.378 . . . . 62.1 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 52.35 112.447 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.64 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 70.02 110.885 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.79 107.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 60.31 110.917 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.73 11.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 51.15 112.487 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.36 -45.74 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 73.2 110.889 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.436 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.67 -27.14 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.87 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.13 84.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 75.02 110.885 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 -32.77 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.55 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.41 -34.88 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.942 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -74.02 -27.91 61.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 63.04 110.874 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.79 -40.8 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 70.24 110.845 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.11 -16.35 53.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 71.43 110.861 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.873 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.91 0.386 . . . . 70.25 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 63.43 112.467 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.628 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 65.53 110.893 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.89 107.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 54.33 110.893 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.69 11.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 61.35 112.5 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.34 -45.77 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 75.55 110.928 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.61 -27.3 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -36.99 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.899 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -32.8 26.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 63.34 110.856 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -23.15 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.932 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.83 -34.56 24.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 65.14 110.911 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -77.93 -23.85 48.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 64.11 110.916 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.91 -33.9 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -81.14 -35.13 31.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.842 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.849 0.357 . . . . 75.13 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 74.42 112.487 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.402 ' H3 ' ' CD ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 74.22 110.898 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.5 107.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.31 110.901 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.26 -23.96 10.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 62.42 112.475 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.62 -45.64 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 73.25 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.78 -26.64 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.23 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.46 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.864 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -32.58 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.864 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.09 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 55.45 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.62 -34.43 25.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.983 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -77.27 -23.02 51.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 64.5 110.913 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -79.74 -38.39 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.05 -32.56 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.838 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.866 0.365 . . . . 65.41 110.931 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 61.34 112.523 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 72.45 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.55 108.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.891 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.41 11.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.764 . . . . 73.34 112.495 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.74 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 72.32 110.878 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.38 -27.86 34.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.919 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -36.68 83.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 53.51 110.891 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -82.94 -32.84 26.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -22.89 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.99 -34.36 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.943 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.62 -23.32 45.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 54.12 110.919 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.7 -31.78 31.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 53.34 110.829 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtt -82.01 -36.17 28.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.2 ppp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.32 110.903 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.904 0.383 . . . . 74.24 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.788 0.328 . . . . 71.44 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.03 107.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 75.21 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.21 -23.53 11.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 54.11 112.501 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.28 -45.67 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 74.41 110.891 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.65 -27.47 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.863 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -36.88 84.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.921 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -32.73 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.5 110.904 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.6 -22.96 46.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 70.32 110.947 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.94 -34.72 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 75.35 110.969 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -22.22 47.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 64.15 110.873 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.96 -31.94 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtt -81.8 -36.8 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 64.15 110.886 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.864 0.364 . . . . 73.45 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 74.31 112.488 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.81 0.338 . . . . 73.01 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.56 108.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.31 -23.36 11.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.433 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.13 -45.65 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 75.43 110.905 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.78 -27.4 33.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.888 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -66.3 -36.69 83.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.909 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -83.38 -32.54 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.884 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -78.62 -23.43 45.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.939 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -84.0 -34.06 24.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.932 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -79.22 -23.47 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 71.44 110.897 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.18 -30.69 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.3 ptm -83.41 -35.87 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.865 0.365 . . . . 73.45 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 50.22 112.517 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.633 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.835 0.35 . . . . 74.42 110.867 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 62.4 110.938 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.72 11.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.448 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.38 -45.75 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 71.44 110.899 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.913 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -66.49 -36.82 83.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 71.1 110.924 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.66 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.87 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -23.98 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 65.3 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.55 -34.02 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.925 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -75.82 -26.08 56.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.94 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.35 -37.42 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.86 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ptm -84.54 -14.02 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.505 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.93 -21.95 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.905 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 19.4 mt-10 -90.04 -38.3 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.22 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.83 16.21 37.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 71.55 112.482 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.12 -64.79 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.726 . . . . 51.5 112.47 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.669 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.2 Cg_endo -69.82 173.51 10.92 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.679 2.253 . . . . 75.4 112.33 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.74 66.35 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 75.12 112.354 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 42.56 75.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 63.04 112.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.669 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -97.03 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 40.31 111.109 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.76 125.45 29.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.668 0.746 . . . . 65.14 110.92 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 82.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 70.13 112.374 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.505 ' C ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.903 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 64.41 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.5 108.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 61.51 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.4 11.33 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 53.21 112.477 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.08 -45.74 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 64.42 110.905 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.69 -27.47 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.862 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -66.25 -36.72 83.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -32.65 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 72.44 110.885 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.54 -23.68 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.75 -33.96 24.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.913 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -76.96 -24.87 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 74.34 110.854 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -77.59 -35.1 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 65.34 110.844 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ptp -84.06 -23.67 30.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 mtt -76.11 -7.02 53.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.92 -35.1 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 65.14 110.902 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.508 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.78 12.39 56.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 65.21 112.484 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.88 -63.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 72.54 112.518 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.6 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.79 172.31 12.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 71.21 112.364 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.76 63.57 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.261 . . . . 62.1 112.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.74 41.22 56.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 72.02 112.51 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.6 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.54 -64.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.736 0.303 . . . . 64.35 111.072 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.3 110.89 53.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 73.43 110.88 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 110.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 63.22 112.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.943 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 72.13 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.09 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.22 110.928 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.55 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 74.34 112.494 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.19 -45.74 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 61.11 110.894 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.0 p90 -81.79 -27.33 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -66.39 -36.73 83.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -83.36 -32.53 26.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.01 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -23.59 45.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.95 -33.95 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.952 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -79.55 -21.84 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 61.44 110.887 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.12 -26.55 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.868 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.3 ptm -89.53 -26.55 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.845 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -6.81 52.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 54.02 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -98.63 -35.24 10.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.56 12.55 56.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 51.54 112.48 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.95 -63.54 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 71.1 112.521 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.75 172.28 12.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 70.31 112.361 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.2 Cg_endo -69.68 63.52 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 62.13 112.369 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.71 41.1 57.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 24.22 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.51 -64.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 42.51 111.102 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 111.21 52.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 60.1 110.896 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 65.21 112.342 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 70.52 110.88 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 71.11 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.55 107.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 51.11 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.17 -23.91 11.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 61.42 112.532 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.57 -45.68 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 71.12 110.848 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.4 p90 -81.57 -27.07 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 65.24 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.8 -32.82 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -23.17 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.88 -34.78 24.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.95 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -79.18 -21.01 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -82.86 -27.08 31.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.822 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.0 ptp -89.52 -23.68 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.404 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -78.46 -7.03 56.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.874 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.84 -34.5 9.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.893 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.79 13.19 58.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.507 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.82 -63.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 54.4 112.494 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.603 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.81 172.42 12.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 2.215 . . . . 63.53 112.323 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.77 63.47 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 62.23 112.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.77 41.29 56.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 32.45 112.488 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.33 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 52.53 111.11 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -112.43 109.95 53.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.672 0.749 . . . . 64.32 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 75.43 112.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 26.2 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.801 0.334 . . . . 70.43 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.42 108.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.03 110.939 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.34 -23.39 11.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.41 112.473 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.69 11.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 63.14 110.899 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.3 p90 -81.69 -27.3 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.852 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 -32.71 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.4 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.29 -23.89 46.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.46 -34.43 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.953 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -74.32 -27.68 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 70.11 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -40.7 65.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 71.35 110.892 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -13.88 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.849 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.495 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -72.76 -22.5 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.871 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -89.99 -38.15 13.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.04 110.893 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.529 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.84 16.07 37.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 60.22 112.497 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.1 -64.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 63.11 112.461 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.648 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.8 173.49 10.94 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.265 . . . . 64.55 112.311 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.9 Cg_endo -69.7 66.39 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 61.44 112.338 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.02 42.61 76.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 73.33 112.466 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.95 -64.13 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 74.42 111.135 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.91 125.33 30.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 72.23 110.89 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 82.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 61.43 112.335 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.5 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.872 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 71.51 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.59 108.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 70.13 110.928 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.39 11.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 62.04 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.75 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 73.33 110.89 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 74.41 110.843 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.32 -36.63 83.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.43 -32.58 26.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.64 -23.71 45.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 60.31 110.887 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.71 -33.86 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.949 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -76.33 -25.93 55.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 65.51 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -77.51 -38.34 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.824 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -84.02 -13.42 53.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 70.31 110.87 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.493 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.6 -24.15 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.858 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 35.1 mt-10 -89.5 -37.89 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.912 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.532 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 60.07 15.63 37.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.47 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.14 -64.56 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 61.53 112.492 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.672 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 173.54 10.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 53.35 112.347 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.2 Cg_endo -69.75 66.51 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 74.34 112.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.01 42.53 77.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 55.31 112.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.672 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -97.02 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.715 0.293 . . . . 73.35 111.072 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.76 125.27 30.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 74.15 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.07 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 74.15 112.356 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.493 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.2 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 50.44 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -50.01 108.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.86 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.36 -23.8 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 44.41 112.487 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.9 -46.18 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 61.42 110.845 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.5 p90 -83.12 -25.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.92 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -68.01 -34.28 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 72.24 110.869 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.04 -31.09 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -78.89 -28.71 44.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.913 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -83.32 -28.62 28.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.12 110.936 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -81.42 -22.13 38.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.895 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -80.79 -34.32 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.888 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.8 ptm -83.67 -25.46 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.516 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 45.0 mtp -72.31 -11.25 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 2.9 mt-10 -90.5 -38.47 13.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.885 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.88 21.68 38.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 60.42 112.489 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.51 -67.81 0.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 51.33 112.482 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.75 173.42 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.256 . . . . 62.33 112.334 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.75 63.97 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 73.33 112.365 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.46 74.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 52.53 112.48 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.98 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.13 111.052 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -115.69 145.92 35.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 64.14 110.874 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.8 Cg_endo -69.71 136.18 32.46 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 74.24 112.385 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 1.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 71.21 110.893 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 61.33 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.16 108.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 63.11 110.904 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.46 -23.41 11.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 61.4 112.486 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.03 -45.72 11.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 73.41 110.874 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.7 p90 -81.85 -27.39 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 61.51 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.38 -36.06 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -32.09 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 70.41 110.881 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -25.29 45.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -83.76 -32.05 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -26.67 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.9 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.81 -40.03 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.25 110.851 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.56 -20.69 42.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 63.23 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.533 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -74.08 -12.1 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 50.42 110.894 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 9.2 pt-20 -93.04 -38.56 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 65.31 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.515 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.14 17.65 38.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 35.34 112.518 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.26 -65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 64.03 112.542 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.77 173.36 11.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 73.13 112.328 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.73 66.09 1.76 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.695 2.263 . . . . 62.11 112.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.03 42.48 77.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 71.1 112.462 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.8 -64.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 52.31 111.109 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.23 126.17 28.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 63.45 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 83.72 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 71.4 112.375 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.9 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.935 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.668 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 71.2 110.868 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.74 107.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 62.34 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.23 -23.69 11.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 73.11 112.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.4 -45.73 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.33 110.906 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.65 -27.15 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.13 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -37.16 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.887 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 -83.02 -32.81 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 61.03 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -23.58 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.916 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.43 -35.1 25.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.92 -27.7 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.895 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.88 -40.82 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -23.72 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mtp -75.5 -7.34 53.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.88 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -98.91 -35.37 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 75.15 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 66.15 11.91 56.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 65.55 112.468 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.99 -63.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 72.44 112.466 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.611 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.72 172.4 12.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 73.53 112.367 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.1 Cg_endo -69.8 63.7 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 62.1 112.325 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.61 41.18 57.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 62.04 112.51 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.611 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.33 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.43 111.082 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 110.56 52.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 61.34 110.883 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 108.36 2.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 60.43 112.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.901 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.664 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 72.33 110.871 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.91 107.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.13 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.22 -23.69 11.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 22.54 112.507 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.43 -45.74 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 61.44 110.833 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.87 -27.02 33.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.884 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -66.41 -36.93 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 65.54 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.32 -32.58 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.84 46.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 63.53 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.76 -34.44 24.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.933 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -77.46 -22.69 50.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 73.43 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.9 -38.28 32.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.871 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 ttp -71.11 -33.84 70.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.824 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.405 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 10.8 ptm -77.07 -6.48 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.885 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -100.78 -35.37 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.55 110.907 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.06 14.21 58.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 52.32 112.505 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.65 -63.66 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 73.15 112.491 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.71 172.56 12.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 34.5 112.359 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.76 63.82 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.762 2.308 . . . . 65.45 112.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.34 41.28 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 54.41 112.509 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.616 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.16 -64.67 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 64.11 111.106 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.83 109.45 52.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 74.31 110.897 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.64 2.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.24 . . . . 62.52 112.354 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 64.1 110.957 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.628 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.33 . . . . 61.22 110.871 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.83 107.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.879 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.68 11.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.448 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.22 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.9 -26.99 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.839 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.43 -36.85 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.53 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -83.33 -32.61 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.829 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.43 -23.76 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 53.4 110.932 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.8 -34.17 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -77.37 -23.75 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 54.13 110.885 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.81 -33.74 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 64.25 110.889 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.48 -26.09 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.13 110.875 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.525 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.6 -10.13 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.891 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 pt-20 -90.83 -38.62 12.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 55.12 110.911 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.95 20.93 35.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.731 . . . . 74.01 112.449 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.69 -67.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.48 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.75 173.37 11.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 72.42 112.353 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.8 Cg_endo -69.81 64.35 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 64.43 112.315 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.01 43.36 82.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 54.44 112.482 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -97.12 -68.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 64.21 111.147 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -115.6 145.75 35.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.679 0.752 . . . . 72.31 110.89 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.6 Cg_endo -69.76 136.53 33.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 74.15 112.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.525 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 6.5 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.933 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 72.31 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.5 108.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.28 -23.39 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 41.02 112.505 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.7 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 70.42 110.902 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.1 p90 -81.62 -27.5 34.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 72.02 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.06 -36.99 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -83.06 -32.9 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -23.52 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.867 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.51 -35.08 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.13 110.89 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.96 -27.54 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 70.12 110.952 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -40.75 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.847 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.57 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.873 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mtt -77.68 -7.41 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.844 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 -34.99 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 53.13 110.881 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 66.13 12.75 58.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 65.54 112.48 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.87 -63.22 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.788 -0.72 . . . . 70.53 112.495 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.7 172.45 12.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 71.33 112.35 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.1 Cg_endo -69.76 63.69 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 62.22 112.36 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.69 41.18 57.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 60.41 112.493 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.05 -64.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 64.14 111.12 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 1.7 mp0 -112.47 109.17 53.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 63.11 110.862 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 54.0 Cg_endo -69.72 108.1 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.252 . . . . 71.34 112.366 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.924 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.622 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.784 0.326 . . . . 71.33 110.907 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.89 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 62.53 110.927 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.7 11.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.41 112.439 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.37 -45.76 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 74.42 110.884 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.77 -27.1 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -66.42 -36.89 83.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.919 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 -32.62 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.54 110.913 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -23.74 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 64.42 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.95 -33.8 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.94 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -22.32 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.64 -30.37 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.849 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.424 ' HE2' ' HG3' ' A' ' 24' ' ' GLN . 16.2 ptm -84.19 -34.86 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 64.15 110.887 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.548 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -70.51 -5.59 29.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.874 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 20.7 mt-10 -97.91 -38.01 9.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.943 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.74 20.0 23.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 52.01 112.455 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.71 -67.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 64.34 112.452 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.553 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.71 173.6 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 75.31 112.341 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.3 Cg_endo -69.74 63.87 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 73.01 112.404 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 44.15 62.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 75.22 112.45 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -99.9 -69.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 33.31 111.1 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.98 143.01 30.03 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.626 0.726 . . . . 65.14 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.77 136.42 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 62.11 112.34 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.548 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 7.3 tm0? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.895 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.675 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 72.52 110.922 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.8 107.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 54.34 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.19 -23.69 11.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 41.23 112.487 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.39 -45.71 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 65.25 110.863 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.67 -27.22 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.05 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 64.05 110.865 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.05 -32.69 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.87 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.48 -23.19 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.8 -34.77 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -76.85 -24.11 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 55.44 110.923 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.47 -33.59 54.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.7 ptm -83.87 -25.45 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.916 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.517 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.2 -11.09 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.904 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 32.3 mt-10 -90.61 -38.64 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 62.1 110.858 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.93 21.92 39.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 52.35 112.447 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.49 -67.93 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 50.42 112.46 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 173.51 10.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 72.23 112.369 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.4 Cg_endo -69.75 63.99 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 63.34 112.357 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.72 43.65 74.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 31.52 112.464 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.96 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 60.1 111.089 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.75 146.3 36.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 61.24 110.835 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 24' ' ' GLN . 54.1 Cg_endo -69.8 136.69 33.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 65.02 112.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.517 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 2.8 tp-100 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.939 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.64 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 70.02 110.885 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.79 107.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 60.31 110.917 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.73 11.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 51.15 112.487 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.36 -45.74 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 73.2 110.889 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.436 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.67 -27.14 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.87 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.13 84.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 75.02 110.885 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 -32.77 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.55 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.41 -34.88 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.942 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -74.02 -27.91 61.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 63.04 110.874 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.79 -40.8 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 70.24 110.845 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.11 -16.35 53.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 71.43 110.861 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.482 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 1.6 mtt -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 2.3 pt-20 -93.53 -37.81 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 70.25 110.905 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 60.15 16.18 40.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 63.43 112.467 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.51 -64.77 0.51 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 73.33 112.472 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.641 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.73 173.34 11.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.286 . . . . 54.32 112.318 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 64.44 112.366 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.88 42.26 79.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 74.12 112.473 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.641 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.76 -64.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 72.21 111.098 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.23 122.37 35.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 72.43 110.936 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 81.79 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 74.25 112.364 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.482 ' C ' ' HA ' ' A' ' 13' ' ' MET . 40.8 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 63.34 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.628 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 65.53 110.893 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.89 107.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 54.33 110.893 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.69 11.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 61.35 112.5 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.34 -45.77 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 75.55 110.928 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.61 -27.3 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -36.99 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.899 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -32.8 26.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 63.34 110.856 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -23.15 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.932 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.83 -34.56 24.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 65.14 110.911 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -77.93 -23.85 48.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 64.11 110.916 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.91 -33.9 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -81.14 -35.13 31.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.528 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 8.2 mtt -69.93 -5.43 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 13.8 mt-10 -98.45 -37.89 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 75.13 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.9 19.73 23.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 74.42 112.487 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.77 -67.71 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 54.11 112.512 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.549 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.77 173.54 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.3 112.351 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 63.79 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 74.42 112.328 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.1 62.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 62.24 112.441 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -100.01 -69.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 74.41 111.085 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.87 142.71 29.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.734 . . . . 73.52 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.6 Cg_endo -69.74 136.01 31.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 74.42 112.375 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.528 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 1.9 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.918 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' H3 ' ' CD ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 74.22 110.898 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.5 107.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.31 110.901 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.26 -23.96 10.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 62.42 112.475 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.62 -45.64 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 73.25 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.78 -26.64 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.23 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.46 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.864 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -32.58 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.864 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.09 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 55.45 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.62 -34.43 25.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.983 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -77.27 -23.02 51.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 64.5 110.913 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -79.74 -38.39 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.05 -32.56 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.838 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -6.98 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.871 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -35.64 9.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 65.41 110.931 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.76 12.04 55.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 61.34 112.523 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.71 -62.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 73.14 112.529 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.585 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.79 172.68 12.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.744 2.296 . . . . 64.53 112.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.7 63.86 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 74.35 112.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.83 64.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 61.32 112.497 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -92.34 -65.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 52.23 111.112 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.31 109.0 51.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 61.21 110.916 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 113.37 3.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.61 2.207 . . . . 74.34 112.373 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.904 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 72.45 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.55 108.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.891 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.41 11.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.764 . . . . 73.34 112.495 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.74 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 72.32 110.878 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.38 -27.86 34.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.919 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -36.68 83.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 53.51 110.891 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -82.94 -32.84 26.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -22.89 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.99 -34.36 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.943 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.62 -23.32 45.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 54.12 110.919 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.7 -31.78 31.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 53.34 110.829 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtt -82.01 -36.17 28.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.533 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 2.2 ppp? -69.78 -5.37 24.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.32 110.903 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 1.7 mt-10 -98.43 -37.97 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.502 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.84 19.74 22.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.78 -67.73 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 32.21 112.453 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.554 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 173.55 10.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 73.03 112.324 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.71 63.79 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 55.11 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.08 62.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 75.15 112.469 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -99.95 -69.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 73.24 111.086 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -115.95 142.71 29.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.704 0.764 . . . . 73.13 110.891 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.77 136.06 32.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.689 2.259 . . . . 35.45 112.35 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 1.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.788 0.328 . . . . 71.44 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.03 107.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 75.21 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.21 -23.53 11.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 54.11 112.501 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.28 -45.67 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 74.41 110.891 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.65 -27.47 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.863 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -36.88 84.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.921 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -32.73 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.5 110.904 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.6 -22.96 46.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 70.32 110.947 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.94 -34.72 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 75.35 110.969 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -22.22 47.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 64.15 110.873 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.96 -31.94 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtt -81.8 -36.8 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.538 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -68.71 -5.66 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 64.15 110.886 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 9.0 mt-10 -98.44 -38.03 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 73.45 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.541 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.29 19.12 23.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 74.31 112.488 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -66.6 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 54.32 112.497 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.541 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 174.65 9.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 73.04 112.341 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.8 65.8 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.266 . . . . 73.52 112.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.59 44.87 94.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 52.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.28 -66.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 73.5 111.107 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -114.27 140.64 25.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 74.34 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.8 Cg_endo -69.78 136.17 32.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 64.41 112.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 8.8 tp-100 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.868 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.81 0.338 . . . . 73.01 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.56 108.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.31 -23.36 11.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.433 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.13 -45.65 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 75.43 110.905 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.78 -27.4 33.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.888 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -66.3 -36.69 83.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.909 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -83.38 -32.54 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.884 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -78.62 -23.43 45.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.939 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -84.0 -34.06 24.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.932 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -79.22 -23.47 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 71.44 110.897 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.18 -30.69 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.3 ptm -83.41 -35.87 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.409 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.06 -4.93 23.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.89 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 36.4 mt-10 -100.1 -37.71 8.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 73.45 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.34 20.18 21.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 50.22 112.517 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.55 -67.79 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 53.23 112.477 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.546 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.74 173.64 10.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 62.31 112.367 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.74 63.99 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 72.13 112.372 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.7 44.08 64.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 74.14 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -100.0 -69.29 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 62.34 111.076 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.19 142.81 29.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 61.32 110.885 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.77 136.05 31.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 53.42 112.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.954 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.633 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.835 0.35 . . . . 74.42 110.867 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 62.4 110.938 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.72 11.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.448 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.38 -45.75 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 71.44 110.899 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.913 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -66.49 -36.82 83.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 71.1 110.924 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.66 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.87 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -23.98 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 65.3 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.55 -34.02 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.925 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -75.82 -26.08 56.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.94 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.35 -37.42 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.86 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ptm -84.54 -14.02 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.368 . . . . 72.22 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 71.55 112.482 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 64.41 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.5 108.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 61.51 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.4 11.33 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 53.21 112.477 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.08 -45.74 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 64.42 110.905 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.69 -27.47 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.862 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -66.25 -36.72 83.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -32.65 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 72.44 110.885 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.54 -23.68 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.75 -33.96 24.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.913 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -76.96 -24.87 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 74.34 110.854 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -77.59 -35.1 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 65.34 110.844 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ptp -84.06 -23.67 30.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 mtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.898 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.893 0.378 . . . . 65.14 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 65.21 112.484 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 72.13 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.09 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.22 110.928 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.55 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 74.34 112.494 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.19 -45.74 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 61.11 110.894 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.0 p90 -81.79 -27.33 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -66.39 -36.73 83.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -83.36 -32.53 26.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.01 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -23.59 45.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.95 -33.95 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.952 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -79.55 -21.84 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 61.44 110.887 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.12 -26.55 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.868 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.3 ptm -89.53 -26.55 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.845 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 54.02 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.904 0.383 . . . . 63.44 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 51.54 112.48 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 71.11 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.55 107.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 51.11 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.17 -23.91 11.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 61.42 112.532 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.57 -45.68 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 71.12 110.848 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.4 p90 -81.57 -27.07 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 65.24 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.8 -32.82 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -23.17 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.88 -34.78 24.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.95 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -79.18 -21.01 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -82.86 -27.08 31.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.822 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.0 ptp -89.52 -23.68 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.883 0.373 . . . . 74.31 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.507 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.801 0.334 . . . . 70.43 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.42 108.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.03 110.939 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.34 -23.39 11.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.41 112.473 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.69 11.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 63.14 110.899 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.3 p90 -81.69 -27.3 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.852 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 -32.71 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.4 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.29 -23.89 46.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.46 -34.43 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.953 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -74.32 -27.68 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 70.11 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -40.7 65.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 71.35 110.892 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -13.88 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.849 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.871 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.89 0.376 . . . . 74.04 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 60.22 112.497 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 71.51 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.59 108.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 70.13 110.928 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.39 11.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 62.04 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.75 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 73.33 110.89 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 74.41 110.843 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.32 -36.63 83.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.43 -32.58 26.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.64 -23.71 45.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 60.31 110.887 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.71 -33.86 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.949 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -76.33 -25.93 55.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 65.51 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -77.51 -38.34 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.824 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -84.02 -13.42 53.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 70.31 110.87 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.858 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.896 0.379 . . . . 73.31 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.47 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 50.44 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -50.01 108.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.86 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.36 -23.8 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 44.41 112.487 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.9 -46.18 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 61.42 110.845 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.5 p90 -83.12 -25.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.92 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -68.01 -34.28 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 72.24 110.869 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.04 -31.09 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -78.89 -28.71 44.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.913 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -83.32 -28.62 28.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.12 110.936 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -81.42 -22.13 38.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.895 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -80.79 -34.32 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.888 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.8 ptm -83.67 -25.46 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.0 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.874 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.885 0.374 . . . . 75.34 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 60.42 112.489 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 61.33 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.16 108.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 63.11 110.904 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.46 -23.41 11.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 61.4 112.486 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.03 -45.72 11.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 73.41 110.874 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.7 p90 -81.85 -27.39 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 61.51 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.38 -36.06 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -32.09 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 70.41 110.881 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -25.29 45.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -83.76 -32.05 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -26.67 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.9 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.81 -40.03 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.25 110.851 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.56 -20.69 42.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 63.23 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 50.42 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 65.31 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 35.34 112.518 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.668 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 71.2 110.868 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.74 107.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 62.34 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.23 -23.69 11.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 73.11 112.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.4 -45.73 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.33 110.906 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.65 -27.15 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.13 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -37.16 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.887 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 -83.02 -32.81 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 61.03 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -23.58 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.916 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.43 -35.1 25.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.92 -27.7 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.895 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.88 -40.82 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -23.72 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mtp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.88 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.892 0.377 . . . . 75.15 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 65.55 112.468 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.664 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 72.33 110.871 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.91 107.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.13 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.22 -23.69 11.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 22.54 112.507 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.43 -45.74 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 61.44 110.833 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.87 -27.02 33.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.884 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -66.41 -36.93 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 65.54 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.32 -32.58 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.84 46.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 63.53 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.76 -34.44 24.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.933 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -77.46 -22.69 50.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 73.43 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.9 -38.28 32.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.871 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 ttp -71.11 -33.84 70.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.824 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.8 ptm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.885 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.885 0.374 . . . . 72.55 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 52.32 112.505 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.628 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.33 . . . . 61.22 110.871 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.83 107.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.879 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.68 11.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.448 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.22 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.9 -26.99 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.839 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.43 -36.85 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.53 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -83.33 -32.61 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.829 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.43 -23.76 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 53.4 110.932 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.8 -34.17 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -77.37 -23.75 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 54.13 110.885 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.81 -33.74 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 64.25 110.889 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.48 -26.09 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.13 110.875 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.363 . . . . 55.12 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.731 . . . . 74.01 112.449 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 72.31 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.5 108.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.28 -23.39 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 41.02 112.505 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.7 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 70.42 110.902 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.1 p90 -81.62 -27.5 34.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 72.02 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.06 -36.99 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -83.06 -32.9 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -23.52 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.867 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.51 -35.08 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.13 110.89 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.96 -27.54 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 70.12 110.952 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -40.75 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.847 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.57 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.873 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.844 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.843 0.354 . . . . 53.13 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 65.54 112.48 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.622 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.784 0.326 . . . . 71.33 110.907 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.89 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 62.53 110.927 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.7 11.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.41 112.439 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.37 -45.76 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 74.42 110.884 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.77 -27.1 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -66.42 -36.89 83.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.919 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 -32.62 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.54 110.913 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -23.74 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 64.42 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.95 -33.8 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.94 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -22.32 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.64 -30.37 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.849 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.2 ptm -84.19 -34.86 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 64.15 110.887 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.921 0.391 . . . . 75.24 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 52.01 112.455 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.675 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 72.52 110.922 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.8 107.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 54.34 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.19 -23.69 11.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 41.23 112.487 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.39 -45.71 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 65.25 110.863 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.67 -27.22 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.05 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 64.05 110.865 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.05 -32.69 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.87 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.48 -23.19 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.8 -34.77 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -76.85 -24.11 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 55.44 110.923 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.47 -33.59 54.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.7 ptm -83.87 -25.45 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.916 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.894 0.378 . . . . 62.1 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 52.35 112.447 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.64 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 70.02 110.885 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.79 107.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 60.31 110.917 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.73 11.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 51.15 112.487 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.36 -45.74 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 73.2 110.889 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.436 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.67 -27.14 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.87 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.13 84.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 75.02 110.885 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 -32.77 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.55 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.41 -34.88 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.942 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -74.02 -27.91 61.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 63.04 110.874 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.79 -40.8 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 70.24 110.845 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.11 -16.35 53.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 71.43 110.861 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.873 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.91 0.386 . . . . 70.25 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 63.43 112.467 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.628 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 65.53 110.893 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.89 107.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 54.33 110.893 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.69 11.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 61.35 112.5 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.34 -45.77 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 75.55 110.928 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.61 -27.3 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -36.99 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.899 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -32.8 26.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 63.34 110.856 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -23.15 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.932 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.83 -34.56 24.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 65.14 110.911 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -77.93 -23.85 48.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 64.11 110.916 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.91 -33.9 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -81.14 -35.13 31.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.842 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.849 0.357 . . . . 75.13 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 74.42 112.487 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.402 ' H3 ' ' CD ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 74.22 110.898 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.5 107.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.31 110.901 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.26 -23.96 10.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 62.42 112.475 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.62 -45.64 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 73.25 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.78 -26.64 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.23 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.46 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.864 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -32.58 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.864 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.09 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 55.45 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.62 -34.43 25.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.983 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -77.27 -23.02 51.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 64.5 110.913 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -79.74 -38.39 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.05 -32.56 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.838 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.866 0.365 . . . . 65.41 110.931 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 61.34 112.523 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 72.45 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.55 108.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.891 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.41 11.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.764 . . . . 73.34 112.495 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.74 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 72.32 110.878 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.38 -27.86 34.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.919 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -36.68 83.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 53.51 110.891 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -82.94 -32.84 26.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -22.89 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.99 -34.36 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.943 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.62 -23.32 45.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 54.12 110.919 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.7 -31.78 31.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 53.34 110.829 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtt -82.01 -36.17 28.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.2 ppp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.32 110.903 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.904 0.383 . . . . 74.24 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.788 0.328 . . . . 71.44 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.03 107.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 75.21 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.21 -23.53 11.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 54.11 112.501 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.28 -45.67 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 74.41 110.891 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.65 -27.47 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.863 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -36.88 84.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.921 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -32.73 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.5 110.904 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.6 -22.96 46.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 70.32 110.947 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.94 -34.72 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 75.35 110.969 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -22.22 47.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 64.15 110.873 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.96 -31.94 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtt -81.8 -36.8 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 64.15 110.886 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.864 0.364 . . . . 73.45 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 74.31 112.488 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.81 0.338 . . . . 73.01 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.56 108.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.31 -23.36 11.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.433 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.13 -45.65 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 75.43 110.905 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.78 -27.4 33.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.888 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -66.3 -36.69 83.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.909 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -83.38 -32.54 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.884 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -78.62 -23.43 45.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.939 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -84.0 -34.06 24.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.932 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -79.22 -23.47 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 71.44 110.897 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.18 -30.69 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.3 ptm -83.41 -35.87 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.865 0.365 . . . . 73.45 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 50.22 112.517 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.633 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.835 0.35 . . . . 74.42 110.867 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.85 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 62.4 110.938 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.72 11.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 74.31 112.448 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.38 -45.75 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 71.44 110.899 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.913 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -66.49 -36.82 83.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 71.1 110.924 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.66 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.87 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.4 -23.98 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 65.3 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.55 -34.02 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.925 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -75.82 -26.08 56.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.94 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.35 -37.42 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.86 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.9 ptm -84.54 -14.02 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.505 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.93 -21.95 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.905 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 19.4 mt-10 -90.04 -38.3 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.22 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.83 16.21 37.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 71.55 112.482 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.12 -64.79 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.726 . . . . 51.5 112.47 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.669 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.2 Cg_endo -69.82 173.51 10.92 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.679 2.253 . . . . 75.4 112.33 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.74 66.35 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 75.12 112.354 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 42.56 75.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 63.04 112.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.669 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -97.03 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 40.31 111.109 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.76 125.45 29.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.668 0.746 . . . . 65.14 110.92 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 82.42 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 70.13 112.374 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.505 ' C ' ' HA ' ' A' ' 13' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.903 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.825 0.345 . . . . 64.41 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.5 108.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 61.51 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.4 11.33 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 53.21 112.477 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.08 -45.74 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 64.42 110.905 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.69 -27.47 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.862 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -66.25 -36.72 83.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -32.65 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 72.44 110.885 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.54 -23.68 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.75 -33.96 24.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.913 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -76.96 -24.87 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 74.34 110.854 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -77.59 -35.1 53.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 65.34 110.844 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ptp -84.06 -23.67 30.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.6 mtt -76.11 -7.02 53.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.92 -35.1 10.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 65.14 110.902 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.508 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.78 12.39 56.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 65.21 112.484 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.88 -63.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 72.54 112.518 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.6 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.79 172.31 12.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 71.21 112.364 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.76 63.57 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.261 . . . . 62.1 112.326 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.74 41.22 56.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 72.02 112.51 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.6 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.54 -64.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.736 0.303 . . . . 64.35 111.072 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -112.3 110.89 53.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 73.43 110.88 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 110.65 2.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.652 2.235 . . . . 63.22 112.343 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.943 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 72.13 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.09 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.22 110.928 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.55 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 74.34 112.494 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.19 -45.74 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 61.11 110.894 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.0 p90 -81.79 -27.33 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -66.39 -36.73 83.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.2 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -83.36 -32.53 26.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.01 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -23.59 45.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.95 -33.95 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.952 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -79.55 -21.84 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 61.44 110.887 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.12 -26.55 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.868 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.3 ptm -89.53 -26.55 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.845 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -6.81 52.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 54.02 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -98.63 -35.24 10.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.56 12.55 56.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 51.54 112.48 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.95 -63.54 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 71.1 112.521 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.75 172.28 12.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 70.31 112.361 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.2 Cg_endo -69.68 63.52 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 62.13 112.369 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.71 41.1 57.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 24.22 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.51 -64.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 42.51 111.102 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 111.21 52.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 60.1 110.896 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 65.21 112.342 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 70.52 110.88 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.83 0.348 . . . . 71.11 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.55 107.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 51.11 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.17 -23.91 11.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 61.42 112.532 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.57 -45.68 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 71.12 110.848 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.4 p90 -81.57 -27.07 34.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 65.24 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.8 -32.82 27.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -23.17 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.88 -34.78 24.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.95 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -79.18 -21.01 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -82.86 -27.08 31.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.822 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.0 ptp -89.52 -23.68 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.404 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -78.46 -7.03 56.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.874 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.84 -34.5 9.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.893 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.79 13.19 58.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.507 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.82 -63.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 54.4 112.494 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.603 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.81 172.42 12.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 2.215 . . . . 63.53 112.323 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.77 63.47 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 62.23 112.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.77 41.29 56.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 32.45 112.488 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.33 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 52.53 111.11 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -112.43 109.95 53.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.672 0.749 . . . . 64.32 110.877 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 75.43 112.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 26.2 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.801 0.334 . . . . 70.43 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.42 108.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.03 110.939 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.34 -23.39 11.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.41 112.473 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.69 11.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 63.14 110.899 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.3 p90 -81.69 -27.3 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.852 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 -32.71 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.4 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.29 -23.89 46.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -83.46 -34.43 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.953 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -74.32 -27.68 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 70.11 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -40.7 65.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 71.35 110.892 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -13.88 57.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.849 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.495 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -72.76 -22.5 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.03 110.871 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -89.99 -38.15 13.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.04 110.893 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.529 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.84 16.07 37.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 60.22 112.497 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.1 -64.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 63.11 112.461 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.648 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.8 173.49 10.94 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.265 . . . . 64.55 112.311 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.9 Cg_endo -69.7 66.39 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 61.44 112.338 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.02 42.61 76.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 73.33 112.466 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.95 -64.13 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 74.42 111.135 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.91 125.33 30.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 72.23 110.89 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 82.58 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 61.43 112.335 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.5 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.872 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 71.51 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.59 108.19 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 70.13 110.928 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 -23.39 11.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 62.04 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.75 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 73.33 110.89 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.71 -27.48 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 74.41 110.843 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -66.32 -36.63 83.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.43 -32.58 26.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.64 -23.71 45.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 60.31 110.887 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.71 -33.86 25.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.949 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -76.33 -25.93 55.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 65.51 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -77.51 -38.34 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.824 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -84.02 -13.42 53.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 70.31 110.87 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.493 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.5 OUTLIER -72.6 -24.15 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.858 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 35.1 mt-10 -89.5 -37.89 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.912 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.532 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 60.07 15.63 37.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.47 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.14 -64.56 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 61.53 112.492 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.672 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 173.54 10.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 53.35 112.347 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.2 Cg_endo -69.75 66.51 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 74.34 112.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.01 42.53 77.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 55.31 112.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.672 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -97.02 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.715 0.293 . . . . 73.35 111.072 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.76 125.27 30.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 74.15 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 82.07 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 74.15 112.356 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.493 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.2 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 50.44 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -50.01 108.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.86 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.36 -23.8 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 44.41 112.487 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.9 -46.18 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 61.42 110.845 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.5 p90 -83.12 -25.31 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.92 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -68.01 -34.28 76.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 72.24 110.869 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.04 -31.09 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -78.89 -28.71 44.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.913 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -83.32 -28.62 28.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.12 110.936 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -81.42 -22.13 38.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.895 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -80.79 -34.32 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.888 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.8 ptm -83.67 -25.46 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.89 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.516 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 45.0 mtp -72.31 -11.25 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 2.9 mt-10 -90.5 -38.47 13.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.885 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.88 21.68 38.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 60.42 112.489 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.51 -67.81 0.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 51.33 112.482 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.75 173.42 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.683 2.256 . . . . 62.33 112.334 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.75 63.97 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 73.33 112.365 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.81 43.46 74.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 52.53 112.48 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.98 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.13 111.052 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -115.69 145.92 35.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 64.14 110.874 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.8 Cg_endo -69.71 136.18 32.46 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 74.24 112.385 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 1.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 71.21 110.893 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 61.33 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.16 108.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 63.11 110.904 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.46 -23.41 11.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 61.4 112.486 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.03 -45.72 11.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 73.41 110.874 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.7 p90 -81.85 -27.39 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 61.51 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.38 -36.06 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.879 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -32.09 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 70.41 110.881 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -25.29 45.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -83.76 -32.05 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -26.67 55.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.9 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.81 -40.03 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.25 110.851 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.56 -20.69 42.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 63.23 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.533 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -74.08 -12.1 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 50.42 110.894 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 9.2 pt-20 -93.04 -38.56 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 65.31 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.515 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 59.14 17.65 38.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 35.34 112.518 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.26 -65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 64.03 112.542 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.77 173.36 11.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 73.13 112.328 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.73 66.09 1.76 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.695 2.263 . . . . 62.11 112.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.03 42.48 77.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 71.1 112.462 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.8 -64.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 52.31 111.109 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.23 126.17 28.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 63.45 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 83.72 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 71.4 112.375 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' C ' ' HA ' ' A' ' 13' ' ' MET . 1.9 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.935 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.668 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 71.2 110.868 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.74 107.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 62.34 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.23 -23.69 11.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 73.11 112.502 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.4 -45.73 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.33 110.906 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.65 -27.15 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.13 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -37.16 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.887 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 -83.02 -32.81 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 61.03 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -23.58 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.916 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.43 -35.1 25.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.92 -27.7 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.895 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.88 -40.82 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -23.72 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mtp -75.5 -7.34 53.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.88 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -98.91 -35.37 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 75.15 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 66.15 11.91 56.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 65.55 112.468 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.99 -63.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 72.44 112.466 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.611 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.72 172.4 12.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 73.53 112.367 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.1 Cg_endo -69.8 63.7 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 62.1 112.325 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.61 41.18 57.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 62.04 112.51 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.611 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.33 -64.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.43 111.082 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.56 110.56 52.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 61.34 110.883 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 108.36 2.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 60.43 112.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.901 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.664 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 72.33 110.871 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.91 107.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.13 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.22 -23.69 11.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 22.54 112.507 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.43 -45.74 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 61.44 110.833 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.9 p90 -81.87 -27.02 33.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.884 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -66.41 -36.93 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 65.54 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.32 -32.58 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.84 46.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 63.53 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.76 -34.44 24.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.933 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -77.46 -22.69 50.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 73.43 110.918 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.9 -38.28 32.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 64.11 110.871 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 ttp -71.11 -33.84 70.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.824 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.405 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 10.8 ptm -77.07 -6.48 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.885 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -100.78 -35.37 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.55 110.907 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.06 14.21 58.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 52.32 112.505 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.65 -63.66 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 73.15 112.491 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.616 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.71 172.56 12.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 34.5 112.359 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.76 63.82 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.762 2.308 . . . . 65.45 112.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.34 41.28 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 54.41 112.509 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.616 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.16 -64.67 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 64.11 111.106 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.83 109.45 52.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 74.31 110.897 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.64 2.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.24 . . . . 62.52 112.354 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 7.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 64.1 110.957 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.628 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.794 0.33 . . . . 61.22 110.871 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.83 107.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.879 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.68 11.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.448 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.22 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.9 -26.99 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.839 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.43 -36.85 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.53 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -83.33 -32.61 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.829 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.43 -23.76 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 53.4 110.932 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.8 -34.17 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.931 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -77.37 -23.75 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 54.13 110.885 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.81 -33.74 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 64.25 110.889 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.48 -26.09 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.13 110.875 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.525 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.6 -10.13 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.891 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 pt-20 -90.83 -38.62 12.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 55.12 110.911 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.95 20.93 35.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.731 . . . . 74.01 112.449 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.69 -67.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.48 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.75 173.37 11.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 72.42 112.353 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.8 Cg_endo -69.81 64.35 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 64.43 112.315 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.01 43.36 82.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 54.44 112.482 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -97.12 -68.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.737 0.303 . . . . 64.21 111.147 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -115.6 145.75 35.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.679 0.752 . . . . 72.31 110.89 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.6 Cg_endo -69.76 136.53 33.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 74.15 112.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.525 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 6.5 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.933 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 72.31 110.904 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.5 108.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.28 -23.39 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 41.02 112.505 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.11 -45.7 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 70.42 110.902 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.1 p90 -81.62 -27.5 34.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 72.02 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.06 -36.99 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -83.06 -32.9 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.872 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -23.52 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.867 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.51 -35.08 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.13 110.89 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -73.96 -27.54 61.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 70.12 110.952 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -40.75 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.847 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.57 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.873 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mtt -77.68 -7.41 56.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.844 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.7 -34.99 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 53.13 110.881 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 66.13 12.75 58.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 65.54 112.48 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.87 -63.22 0.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.788 -0.72 . . . . 70.53 112.495 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.614 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.7 172.45 12.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 71.33 112.35 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.1 Cg_endo -69.76 63.69 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 62.22 112.36 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.69 41.18 57.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 60.41 112.493 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.05 -64.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 64.14 111.12 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 1.7 mp0 -112.47 109.17 53.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 63.11 110.862 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 54.0 Cg_endo -69.72 108.1 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.252 . . . . 71.34 112.366 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.924 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.622 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.784 0.326 . . . . 71.33 110.907 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.87 107.89 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 62.53 110.927 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.7 11.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.41 112.439 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.37 -45.76 10.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 74.42 110.884 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.77 -27.1 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -66.42 -36.89 83.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.919 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 -32.62 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.54 110.913 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -23.74 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 64.42 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.95 -33.8 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.94 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -22.32 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.64 -30.37 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.849 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.424 ' HE2' ' HG3' ' A' ' 24' ' ' GLN . 16.2 ptm -84.19 -34.86 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 64.15 110.887 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.548 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -70.51 -5.59 29.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.874 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 20.7 mt-10 -97.91 -38.01 9.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.943 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.74 20.0 23.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 52.01 112.455 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.71 -67.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 64.34 112.452 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.553 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.71 173.6 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 75.31 112.341 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.3 Cg_endo -69.74 63.87 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 73.01 112.404 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 44.15 62.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 75.22 112.45 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -99.9 -69.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 33.31 111.1 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.98 143.01 30.03 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.626 0.726 . . . . 65.14 110.898 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.77 136.42 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 62.11 112.34 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.548 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 7.3 tm0? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.895 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.675 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 72.52 110.922 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.8 107.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 54.34 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.19 -23.69 11.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 41.23 112.487 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.39 -45.71 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 65.25 110.863 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.7 p90 -81.67 -27.22 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.918 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.05 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 64.05 110.865 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.05 -32.69 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.87 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.48 -23.19 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.8 -34.77 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -76.85 -24.11 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 55.44 110.923 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.47 -33.59 54.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.872 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.7 ptm -83.87 -25.45 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.916 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.517 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -72.2 -11.09 60.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.904 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 32.3 mt-10 -90.61 -38.64 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 62.1 110.858 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.93 21.92 39.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 52.35 112.447 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.49 -67.93 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 50.42 112.46 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 173.51 10.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 72.23 112.369 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.4 Cg_endo -69.75 63.99 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 63.34 112.357 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.72 43.65 74.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 31.52 112.464 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.96 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 60.1 111.089 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.75 146.3 36.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 61.24 110.835 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 24' ' ' GLN . 54.1 Cg_endo -69.8 136.69 33.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 65.02 112.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.517 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 2.8 tp-100 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.939 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.64 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 70.02 110.885 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -50.79 107.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 60.31 110.917 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.24 -23.73 11.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 51.15 112.487 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.36 -45.74 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 73.2 110.889 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.436 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.67 -27.14 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.87 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.13 84.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 75.02 110.885 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 -32.77 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -23.55 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.41 -34.88 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.942 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -74.02 -27.91 61.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 63.04 110.874 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.79 -40.8 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 70.24 110.845 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.11 -16.35 53.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 71.43 110.861 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.482 ' HA ' ' C ' ' A' ' 24' ' ' GLN . 1.6 mtt -75.81 -14.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 2.3 pt-20 -93.53 -37.81 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 70.25 110.905 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 60.15 16.18 40.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 63.43 112.467 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.51 -64.77 0.51 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 73.33 112.472 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.641 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.73 173.34 11.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.286 . . . . 54.32 112.318 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.76 66.29 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 64.44 112.366 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.88 42.26 79.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 74.12 112.473 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.641 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -96.76 -64.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 72.21 111.098 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.23 122.37 35.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 72.43 110.936 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 81.79 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 74.25 112.364 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.482 ' C ' ' HA ' ' A' ' 13' ' ' MET . 40.8 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 63.34 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.628 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 65.53 110.893 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -50.89 107.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 54.33 110.893 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.18 -23.69 11.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 61.35 112.5 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.34 -45.77 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 75.55 110.928 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.61 -27.3 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 73.2 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -36.99 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.899 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -32.8 26.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 63.34 110.856 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -23.15 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.932 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.83 -34.56 24.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 65.14 110.911 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -77.93 -23.85 48.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 64.11 110.916 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.91 -33.9 33.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -81.14 -35.13 31.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.528 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 8.2 mtt -69.93 -5.43 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.842 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 13.8 mt-10 -98.45 -37.89 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 75.13 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.9 19.73 23.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 74.42 112.487 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.77 -67.71 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 54.11 112.512 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.549 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.77 173.54 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.3 112.351 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 63.79 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 74.42 112.328 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.99 44.1 62.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 62.24 112.441 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -100.01 -69.07 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 74.41 111.085 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.87 142.71 29.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.734 . . . . 73.52 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.6 Cg_endo -69.74 136.01 31.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 74.42 112.375 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.528 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 1.9 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.918 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' H3 ' ' CD ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 74.22 110.898 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -50.5 107.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.31 110.901 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.26 -23.96 10.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 62.42 112.475 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.62 -45.64 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 73.25 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.6 p90 -81.78 -26.64 34.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.23 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.46 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.864 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -32.58 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.864 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.09 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 55.45 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.62 -34.43 25.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.983 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -77.27 -23.02 51.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 64.5 110.913 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -79.74 -38.39 33.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.05 -32.56 67.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.838 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -6.98 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.871 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -35.64 9.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 65.41 110.931 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 65.76 12.04 55.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 61.34 112.523 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 18' ' ' PRO . . . 123.71 -62.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 73.14 112.529 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.585 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.79 172.68 12.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.744 2.296 . . . . 64.53 112.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.7 63.86 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 74.35 112.369 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.03 37.83 64.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 61.32 112.497 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -92.34 -65.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 52.23 111.112 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.31 109.0 51.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 61.21 110.916 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 113.37 3.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.61 2.207 . . . . 74.34 112.373 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.904 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 72.45 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.55 108.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.891 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.41 11.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.764 . . . . 73.34 112.495 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.07 -45.74 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 72.32 110.878 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.38 -27.86 34.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.919 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -36.68 83.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 53.51 110.891 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -82.94 -32.84 26.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -22.89 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -83.99 -34.36 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.943 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -78.62 -23.32 45.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 54.12 110.919 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.7 -31.78 31.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 53.34 110.829 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtt -82.01 -36.17 28.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.894 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.533 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 2.2 ppp? -69.78 -5.37 24.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.32 110.903 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 1.7 mt-10 -98.43 -37.97 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.502 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.84 19.74 22.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.78 -67.73 0.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 32.21 112.453 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.554 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 173.55 10.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 73.03 112.324 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.71 63.79 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.704 2.269 . . . . 55.11 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.08 62.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 75.15 112.469 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -99.95 -69.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.299 . . . . 73.24 111.086 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -115.95 142.71 29.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.704 0.764 . . . . 73.13 110.891 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.77 136.06 32.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.689 2.259 . . . . 35.45 112.35 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 1.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.788 0.328 . . . . 71.44 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -51.03 107.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 75.21 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.21 -23.53 11.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 54.11 112.501 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.28 -45.67 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 74.41 110.891 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 53.8 p90 -81.65 -27.47 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.863 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -36.88 84.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.921 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -32.73 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.5 110.904 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.6 -22.96 46.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 70.32 110.947 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -83.94 -34.72 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 75.35 110.969 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -22.22 47.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 64.15 110.873 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.96 -31.94 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtt -81.8 -36.8 27.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.538 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -68.71 -5.66 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 64.15 110.886 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 9.0 mt-10 -98.44 -38.03 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 73.45 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.541 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 56.29 19.12 23.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 74.31 112.488 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -66.6 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 54.32 112.497 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.541 ' HD2' ' C ' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 174.65 9.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 73.04 112.341 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 53.6 Cg_endo -69.8 65.8 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.266 . . . . 73.52 112.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.59 44.87 94.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 52.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.28 -66.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 73.5 111.107 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -114.27 140.64 25.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 74.34 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.8 Cg_endo -69.78 136.17 32.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 64.41 112.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CB ' ' HA ' ' A' ' 13' ' ' MET . 8.8 tp-100 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.868 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.81 0.338 . . . . 73.01 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.56 108.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.31 -23.36 11.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.433 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -86.13 -45.65 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 75.43 110.905 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 54.2 p90 -81.78 -27.4 33.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.888 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -66.3 -36.69 83.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.11 110.909 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -83.38 -32.54 26.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.884 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -78.62 -23.43 45.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.939 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -84.0 -34.06 24.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.932 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -79.22 -23.47 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 71.44 110.897 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.18 -30.69 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.3 ptm -83.41 -35.87 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.409 ' HA ' ' CB ' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -70.06 -4.93 23.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.89 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 36.4 mt-10 -100.1 -37.71 8.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 73.45 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' C ' ' HD2' ' A' ' 18' ' ' PRO . . . 55.34 20.18 21.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 50.22 112.517 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.55 -67.79 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 53.23 112.477 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.546 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.74 173.64 10.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 62.31 112.367 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.74 63.99 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 72.13 112.372 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.7 44.08 64.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 74.14 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -100.0 -69.29 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 62.34 111.076 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.19 142.81 29.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 61.32 110.885 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.77 136.05 31.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 53.42 112.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.954 179.977 . . . . . . . . 2 2 . 1 stop_ save_